CID 162396560

Dtxsid001032456

Structural Information

Molecular Formula
C8H8F11O3P
SMILES
C(CP(=O)(O)O)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F11O3P/c9-4(10,1-2-23(20,21)22)3-5(11,12)6(13,14)7(15,16)8(17,18)19/h1-3H2,(H2,20,21,22)
InChIKey
WAICZASDWWUVPN-UHFFFAOYSA-N
Compound name
3,3,5,5,6,6,7,7,8,8,8-undecafluorooctylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.00354 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.01082 180.6
[M+Na]+ 414.99276 157.0
[M-H]- 390.99626 155.6
[M+NH4]+ 410.03736 156.8
[M+K]+ 430.96670 185.3
[M+H-H2O]+ 375.00080 166.8
[M+HCOO]- 437.00174 173.2
[M+CH3COO]- 451.01739 214.1
[M+Na-2H]- 412.97821 182.9
[M]+ 392.00299 149.3
[M]- 392.00409 149.3
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.