CID 2782828

2-fluoro-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H7FO2
SMILES
CC(C)(C(=O)O)F
InChI
InChI=1S/C4H7FO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
InChIKey
NZDOWZQRNZLBOY-UHFFFAOYSA-N
Compound name
2-fluoro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

903
Patents

106.04301 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.050286 116.8
[M+Na]+ 129.032228 125.0
[M-H]- 105.035734 115.0
[M+NH4]+ 124.076833 139.2
[M+K]+ 145.006168 125.1
[M+H-H2O]+ 89.040270 112.7
[M+HCOO]- 151.041211 136.8
[M+CH3COO]- 165.056861 165.2
[M+Na-2H]- 127.017676 123.3
[M]+ 106.04246142 115.2
[M]- 106.04355858 115.2
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