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
trans-(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]+ 227.046946 141.0
[M+Na]+ 249.028888 152.0
[M-H]- 225.032394 147.8
[M+NH4]+ 244.073493 155.0
[M+K]+ 265.002828 147.3
[M+H-H2O]+ 209.036930 135.9
[M+HCOO]- 271.037871 159.3
[M+CH3COO]- 285.053521 189.7
[M+Na-2H]- 247.014336 144.8
[M]+ 226.03912142 147.0
[M]- 226.04021858 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.