PubChemLite - Hydroxy-6:2/6:2 dipap (C16H9F26O5P)

Structural Information

Molecular Formula

SMILES

C(COP(=O)(O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H9F26O5P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-2-46-48(44,45)47-3-4(43)6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h4,43H,1-3H2,(H,44,45)

InChIKey

JDGHPNPIEDPULE-UHFFFAOYSA-N

Compound name

(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-hydroxyoctyl) 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 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]+	806.98451	220.8
[M+Na]+	828.96645	221.0
[M-H]-	804.96995	233.8
[M+NH4]+	824.01105	233.1
[M+K]+	844.94039	235.4
[M+H-H2O]+	788.97449	201.4
[M+HCOO]-	850.97543	234.6
[M+CH3COO]-	864.99108	269.4
[M+Na-2H]-	826.95190	217.5
[M]+	805.97668	218.2
[M]-	805.97778	218.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

806.98451

220.8

[M+Na]+

828.96645

221.0

[M-H]-

804.96995

233.8

[M+NH4]+

824.01105

233.1

[M+K]+

844.94039

235.4

[M+H-H2O]+

788.97449

201.4

[M+HCOO]-

850.97543

234.6

[M+CH3COO]-

864.99108

269.4

[M+Na-2H]-

826.95190

217.5

[M]+

805.97668

218.2

[M]-

805.97778

218.2

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

Hydroxy-6:2/6:2 dipap

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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