CID 137964706

2227859-69-8

Structural Information

Molecular Formula
C11H11ClO3
SMILES
COC1=C(C(=CC=C1)Cl)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C11H11ClO3/c1-15-9-4-2-3-8(12)10(9)6-5-7(6)11(13)14/h2-4,6-7H,5H2,1H3,(H,13,14)/t6-,7-/m1/s1
InChIKey
FNMJPJBYDVVUJJ-RNFRBKRXSA-N
Compound name
(1R,2R)-2-(2-chloro-6-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.03967 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04695 144.9
[M+Na]+ 249.02889 159.7
[M+NH4]+ 244.07349 153.7
[M+K]+ 265.00283 155.1
[M-H]- 225.03239 154.2
[M+Na-2H]- 247.01434 153.9
[M]+ 226.03912 151.0
[M]- 226.04022 151.0
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.