CID 53756597

(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphonic acid

Structural Information

Molecular Formula
C8H6F13O3P
SMILES
C(CP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F13O3P/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)
InChIKey
DEXIXSRZQUFPIK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

351
Patents

427.9847 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.99198 156.1
[M+Na]+ 450.97392 159.9
[M-H]- 426.97742 161.0
[M+NH4]+ 446.01852 161.5
[M+K]+ 466.94786 163.4
[M+H-H2O]+ 410.98196 139.2
[M+HCOO]- 472.98290 176.5
[M+CH3COO]- 486.99855 220.4
[M+Na-2H]- 448.95937 151.5
[M]+ 427.98415 152.6
[M]- 427.98525 152.6
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.