CID 14699638

2-fluoro-1-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
CC1(CC1F)C(=O)O
InChI
InChI=1S/C5H7FO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)
InChIKey
QQPAMTHUZUGCJI-UHFFFAOYSA-N
Compound name
2-fluoro-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

118.04301 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 118.5
[M+Na]+ 141.032228 129.2
[M-H]- 117.035734 121.5
[M+NH4]+ 136.076833 137.6
[M+K]+ 157.006168 128.1
[M+H-H2O]+ 101.040270 114.1
[M+HCOO]- 163.041211 139.7
[M+CH3COO]- 177.056861 171.1
[M+Na-2H]- 139.017676 125.0
[M]+ 118.04246142 120.0
[M]- 118.04355858 120.0
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