CID 83703037

1-(3-chloro-4-methylphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11ClO2
SMILES
CC1=C(C=C(C=C1)C2(CC2)C(=O)O)Cl
InChI
InChI=1S/C11H11ClO2/c1-7-2-3-8(6-9(7)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
AZRJTOURSKZMGL-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05203 138.2
[M+Na]+ 233.03397 149.2
[M-H]- 209.03747 145.1
[M+NH4]+ 228.07857 154.6
[M+K]+ 249.00791 145.1
[M+H-H2O]+ 193.04201 134.2
[M+HCOO]- 255.04295 156.1
[M+CH3COO]- 269.05860 186.1
[M+Na-2H]- 231.01942 143.8
[M]+ 210.04420 142.8
[M]- 210.04530 142.8
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

No patent data available for this compound.