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

18
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 120.5
[M+Na]+ 174.99325 132.3
[M-H]- 150.99675 123.6
[M+NH4]+ 170.03785 140.8
[M+K]+ 190.96719 130.1
[M+H-H2O]+ 135.00129 118.4
[M+HCOO]- 197.00223 137.1
[M+CH3COO]- 211.01788 174.6
[M+Na-2H]- 172.97870 128.0
[M]+ 152.00348 124.1
[M]- 152.00458 124.1
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