PubChemLite - Einecs 264-076-9 (C14H8F23O5P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14H8F23O5P/c15-4(16,1-3(38)2-42-43(39,40)41)6(18,19)8(22,23)10(26,27)12(30,31)11(28,29)9(24,25)7(20,21)5(17,13(32,33)34)14(35,36)37/h3,38H,1-2H2,(H2,39,40,41)

InChIKey

KUDKLDDNJRWOJT-UHFFFAOYSA-N

Compound name

[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl] dihydrogen 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]+	724.98148	205.8
[M+Na]+	746.96342	205.7
[M-H]-	722.96692	218.3
[M+NH4]+	742.00802	216.3
[M+K]+	762.93736	218.8
[M+H-H2O]+	706.97146	185.2
[M+HCOO]-	768.97240	219.7
[M+CH3COO]-	782.98805	260.0
[M+Na-2H]-	744.94887	201.6
[M]+	723.97365	202.8
[M]-	723.97475	202.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

724.98148

205.8

[M+Na]+

746.96342

205.7

[M-H]-

722.96692

218.3

[M+NH4]+

742.00802

216.3

[M+K]+

762.93736

218.8

[M+H-H2O]+

706.97146

185.2

[M+HCOO]-

768.97240

219.7

[M+CH3COO]-

782.98805

260.0

[M+Na-2H]-

744.94887

201.6

[M]+

723.97365

202.8

[M]-

723.97475

202.8

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

Einecs 264-076-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe