CID 14452717

Perfluorobutylphosphonic acid

Structural Information

Molecular Formula
C4H2F9O3P
SMILES
C(C(C(F)(F)P(=O)(O)O)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4H2F9O3P/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
InChIKey
AUBOIAPNLUHLAF-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

299.95978 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.96706 183.0
[M+Na]+ 322.94900 183.1
[M+NH4]+ 317.99360 181.7
[M+K]+ 338.92294 181.6
[M-H]- 298.95250 173.8
[M+Na-2H]- 320.93445 179.3
[M]+ 299.95923 180.0
[M]- 299.96033 180.0
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

patents stripe