CID 82307405

4-(2-bromophenyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C13H15BrO2
SMILES
C1CC(CCC1C2=CC=CC=C2Br)C(=O)O
InChI
InChI=1S/C13H15BrO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-4,9-10H,5-8H2,(H,15,16)
InChIKey
GFMQKVCGGLWQSW-UHFFFAOYSA-N
Compound name
4-(2-bromophenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02554 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03282 157.8
[M+Na]+ 305.01476 166.0
[M-H]- 281.01826 164.9
[M+NH4]+ 300.05936 176.4
[M+K]+ 320.98870 154.6
[M+H-H2O]+ 265.02280 157.4
[M+HCOO]- 327.02374 174.0
[M+CH3COO]- 341.03939 193.6
[M+Na-2H]- 303.00021 161.1
[M]+ 282.02499 171.6
[M]- 282.02609 171.6
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.