CID 15930820

Refchem:21641

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
4
Annotation Hits

0
References

208
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.