CID 53406039

2,3,3,3-tetrafluoro-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H4F4O2
SMILES
CC(C(=O)O)(C(F)(F)F)F
InChI
InChI=1S/C4H4F4O2/c1-3(5,2(9)10)4(6,7)8/h1H3,(H,9,10)
InChIKey
VBBZFHVTLOINLW-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

160.01474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02202 123.7
[M+Na]+ 183.00396 132.5
[M-H]- 159.00746 118.2
[M+NH4]+ 178.04856 143.8
[M+K]+ 198.97790 131.8
[M+H-H2O]+ 143.01200 117.3
[M+HCOO]- 205.01294 139.0
[M+CH3COO]- 219.02859 173.6
[M+Na-2H]- 180.98941 129.4
[M]+ 160.01419 117.6
[M]- 160.01529 117.6
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