CID 94988243

2059908-45-9

Structural Information

Molecular Formula
C13H15ClO2
SMILES
C1CC[C@H]([C@@H](C1)C2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C13H15ClO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h3-5,8,11-12H,1-2,6-7H2,(H,15,16)/t11-,12+/m0/s1
InChIKey
UBMXBPQXGJCEKV-NWDGAFQWSA-N
Compound name
trans-(1R,2R)-2-(3-chlorophenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07605 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.083326 151.4
[M+Na]+ 261.065268 157.5
[M-H]- 237.068774 156.1
[M+NH4]+ 256.109873 169.0
[M+K]+ 277.039208 152.8
[M+H-H2O]+ 221.073310 145.7
[M+HCOO]- 283.074251 165.4
[M+CH3COO]- 297.089901 187.6
[M+Na-2H]- 259.050716 153.5
[M]+ 238.07550142 148.5
[M]- 238.07659858 148.5
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.