CID 162396553

Dtxsid301032455

Structural Information

Molecular Formula
C10H8F15O3P
SMILES
C(CP(=O)(O)O)C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F15O3P/c11-4(12,1-2-29(26,27)28)3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-3H2,(H2,26,27,28)
InChIKey
FDXMNJKLMNINAS-UHFFFAOYSA-N
Compound name
3,3,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

491.99716 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.00444 167.7
[M+Na]+ 514.98638 170.7
[M-H]- 490.98988 173.7
[M+NH4]+ 510.03098 174.2
[M+K]+ 530.96032 176.7
[M+H-H2O]+ 474.99442 149.5
[M+HCOO]- 536.99536 187.2
[M+CH3COO]- 551.01101 231.6
[M+Na-2H]- 512.97183 162.7
[M]+ 491.99661 164.0
[M]- 491.99771 164.0
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.