CID 15930820

Perfluorohexylphosphonic acid

Structural Information

Molecular Formula
C6H2F13O3P
SMILES
C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F13O3P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
InChIKey
AGCUFKNHQDVTAD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

215
Patents

399.9534 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.96068 148.4
[M+Na]+ 422.94262 152.6
[M-H]- 398.94612 154.0
[M+NH4]+ 417.98722 153.9
[M+K]+ 438.91656 155.3
[M+H-H2O]+ 382.95066 163.5
[M+HCOO]- 444.95160 169.6
[M+CH3COO]- 458.96725 215.0
[M+Na-2H]- 420.92807 144.8
[M]+ 399.95285 145.1
[M]- 399.95395 145.1
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