PubChemLite - P,p'-bis(undecafluorocyclohexanemethanol) pyrophosphate (C14H6F22O7P2)

Structural Information

Molecular Formula

SMILES

C(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)OP(=O)(O)OP(=O)(O)OCC2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C14H6F22O7P2/c15-3(5(17,18)9(25,26)13(33,34)10(27,28)6(3,19)20)1-41-44(37,38)43-45(39,40)42-2-4(16)7(21,22)11(29,30)14(35,36)12(31,32)8(4,23)24/h1-2H2,(H,37,38)(H,39,40)

InChIKey

GKZGVKOYWVHHLC-UHFFFAOYSA-N

Compound name

[hydroxy-[(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methoxy]phosphoryl] (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl hydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	766.93105	194.2
[M+Na]+	788.91299	253.1
[M-H]-	764.91649	255.3
[M+NH4]+	783.95759	257.9
[M+K]+	804.88693	212.5
[M+H-H2O]+	748.92103	186.2
[M+HCOO]-	810.92197	263.0
[M+CH3COO]-	824.93762	264.6
[M+Na-2H]-	786.89844	201.6
[M]+	765.92322	235.5
[M]-	765.92432	235.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

766.93105

194.2

[M+Na]+

788.91299

253.1

[M-H]-

764.91649

255.3

[M+NH4]+

783.95759

257.9

[M+K]+

804.88693

212.5

[M+H-H2O]+

748.92103

186.2

[M+HCOO]-

810.92197

263.0

[M+CH3COO]-

824.93762

264.6

[M+Na-2H]-

786.89844

201.6

[M]+

765.92322

235.5

[M]-

765.92432

235.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

P,p'-bis(undecafluorocyclohexanemethanol) pyrophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe