CID 16769509

732308-80-4

Structural Information

Molecular Formula
C13H15BrO2
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C13H15BrO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)
InChIKey
JJVXUXDLDJORKK-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

282.02554 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03282 157.4
[M+Na]+ 305.01476 165.7
[M-H]- 281.01826 164.6
[M+NH4]+ 300.05936 177.6
[M+K]+ 320.98870 154.6
[M+H-H2O]+ 265.02280 157.7
[M+HCOO]- 327.02374 173.7
[M+CH3COO]- 341.03939 192.1
[M+Na-2H]- 303.00021 162.5
[M]+ 282.02499 171.4
[M]- 282.02609 171.4
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

patents stripe