CID 162396522

Dtxsid901032453

Structural Information

Molecular Formula
C12H10F17O3P
SMILES
C(CP(=O)(O)O)C(CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F17O3P/c13-5(14,1-2-33(30,31)32)3-6(15,16)4-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-4H2,(H2,30,31,32)
InChIKey
XVJQZQIPLLQPRP-UHFFFAOYSA-N
Compound name
3,3,5,5,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

556.0096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.01688 179.4
[M+Na]+ 578.99882 181.7
[M-H]- 555.00232 186.6
[M+NH4]+ 574.04342 187.0
[M+K]+ 594.97276 190.2
[M+H-H2O]+ 539.00686 160.3
[M+HCOO]- 601.00780 198.1
[M+CH3COO]- 615.02345 242.0
[M+Na-2H]- 576.98427 174.4
[M]+ 556.00905 175.9
[M]- 556.01015 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.