CID 824992

1-(4-bromophenyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C12H13BrO2
SMILES
C1CCC(C1)(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C12H13BrO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKey
UALMMAIHRMKFCW-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

268.0099 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01718 156.4
[M+Na]+ 290.99912 158.0
[M+NH4]+ 286.04372 162.4
[M+K]+ 306.97306 157.9
[M-H]- 267.00262 157.5
[M+Na-2H]- 288.98457 160.2
[M]+ 268.00935 155.8
[M]- 268.01045 155.8
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