CID 59129441

936728-01-7

Structural Information

Molecular Formula
C11H11ClO3
SMILES
COC1=C(C=CC(=C1)C2(CC2)C(=O)O)Cl
InChI
InChI=1S/C11H11ClO3/c1-15-9-6-7(2-3-8(9)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
HMAIOQOQPGCPKW-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

226.03967 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 141.8
[M+Na]+ 249.02889 152.7
[M-H]- 225.03239 148.6
[M+NH4]+ 244.07349 157.5
[M+K]+ 265.00283 149.0
[M+H-H2O]+ 209.03693 137.6
[M+HCOO]- 271.03787 159.8
[M+CH3COO]- 285.05352 188.1
[M+Na-2H]- 247.01434 147.3
[M]+ 226.03912 147.9
[M]- 226.04022 147.9
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