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]+ 283.032816 157.8
[M+Na]+ 305.014758 166.0
[M-H]- 281.018264 164.9
[M+NH4]+ 300.059363 176.4
[M+K]+ 320.988698 154.6
[M+H-H2O]+ 265.022800 157.4
[M+HCOO]- 327.023741 174.0
[M+CH3COO]- 341.039391 193.6
[M+Na-2H]- 303.000206 161.1
[M]+ 282.02499142 171.6
[M]- 282.02608858 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.