CID 55299767

2-fluoro-3-methylbut-2-enoic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
CC(=C(C(=O)O)F)C
InChI
InChI=1S/C5H7FO2/c1-3(2)4(6)5(7)8/h1-2H3,(H,7,8)
InChIKey
RHPSOCYWHMIVLQ-UHFFFAOYSA-N
Compound name
2-fluoro-3-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

118.04301 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 120.8
[M+Na]+ 141.032228 128.1
[M-H]- 117.035734 118.8
[M+NH4]+ 136.076833 142.5
[M+K]+ 157.006168 127.9
[M+H-H2O]+ 101.040270 116.1
[M+HCOO]- 163.041211 140.3
[M+CH3COO]- 177.056861 168.2
[M+Na-2H]- 139.017676 123.7
[M]+ 118.04246142 118.1
[M]- 118.04355858 118.1
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