CID 137964706

Rac-(1r,2r)-2-(2-chloro-6-methoxyphenyl)cyclopropane-1-carboxylic acid

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 141.0
[M+Na]+ 249.02889 152.0
[M-H]- 225.03239 147.8
[M+NH4]+ 244.07349 155.0
[M+K]+ 265.00283 147.3
[M+H-H2O]+ 209.03693 135.9
[M+HCOO]- 271.03787 159.3
[M+CH3COO]- 285.05352 189.7
[M+Na-2H]- 247.01434 144.8
[M]+ 226.03912 147.0
[M]- 226.04022 147.0
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.