CID 13528037

(heptadecafluorooctyl)phosphonic acid

Structural Information

Molecular Formula
C8H2F17O3P
SMILES
C(C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F17O3P/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)
InChIKey
CPRNWMZKNOIIML-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

156
Patents

499.94702 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.95430 164.8
[M+Na]+ 522.93624 167.8
[M-H]- 498.93974 173.2
[M+NH4]+ 517.98084 172.6
[M+K]+ 538.91018 174.9
[M+H-H2O]+ 482.94428 146.2
[M+HCOO]- 544.94522 184.9
[M+CH3COO]- 558.96087 232.2
[M+Na-2H]- 520.92169 161.5
[M]+ 499.94647 161.5
[M]- 499.94757 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe