CID 16769144

1-(3-chlorophenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C1CC1(C2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6H,4-5H2,(H,12,13)
InChIKey
QUIQAEWPDRXLFW-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

196.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 134.9
[M+Na]+ 219.01833 145.5
[M-H]- 195.02183 141.6
[M+NH4]+ 214.06293 151.6
[M+K]+ 234.99227 141.6
[M+H-H2O]+ 179.02637 130.7
[M+HCOO]- 241.02731 153.2
[M+CH3COO]- 255.04296 182.1
[M+Na-2H]- 217.00378 141.6
[M]+ 196.02856 138.8
[M]- 196.02966 138.8
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