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

8
Patents

118.04301 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 118.5
[M+Na]+ 141.03223 129.2
[M-H]- 117.03573 121.5
[M+NH4]+ 136.07683 137.6
[M+K]+ 157.00617 128.1
[M+H-H2O]+ 101.04027 114.1
[M+HCOO]- 163.04121 139.7
[M+CH3COO]- 177.05686 171.1
[M+Na-2H]- 139.01768 125.0
[M]+ 118.04246 120.0
[M]- 118.04356 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