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

105
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 140.3
[M+Na]+ 219.01833 155.3
[M+NH4]+ 214.06293 151.2
[M+K]+ 234.99227 148.4
[M-H]- 195.02183 150.2
[M+Na-2H]- 217.00378 151.8
[M]+ 196.02856 146.8
[M]- 196.02966 146.8
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