CID 14699634

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

Structural Information

Molecular Formula
C5H6ClFO2
SMILES
CC1(CC1(F)Cl)C(=O)O
InChI
InChI=1S/C5H6ClFO2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChIKey
SNBFEECZTLYGBU-UHFFFAOYSA-N
Compound name
2-chloro-2-fluoro-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

152.00403 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01131 127.2
[M+Na]+ 174.99325 139.0
[M+NH4]+ 170.03785 138.0
[M+K]+ 190.96719 132.7
[M-H]- 150.99675 132.9
[M+Na-2H]- 172.97870 136.6
[M]+ 152.00348 132.0
[M]- 152.00458 132.0
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