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

113
Patents

226.03967 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.046946 141.8
[M+Na]+ 249.028888 152.7
[M-H]- 225.032394 148.6
[M+NH4]+ 244.073493 157.5
[M+K]+ 265.002828 149.0
[M+H-H2O]+ 209.036930 137.6
[M+HCOO]- 271.037871 159.8
[M+CH3COO]- 285.053521 188.1
[M+Na-2H]- 247.014336 147.3
[M]+ 226.03912142 147.9
[M]- 226.04021858 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