CID 82305411

3-(2-bromophenyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H13BrO2
SMILES
C1CC(CC1C2=CC=CC=C2Br)C(=O)O
InChI
InChI=1S/C12H13BrO2/c13-11-4-2-1-3-10(11)8-5-6-9(7-8)12(14)15/h1-4,8-9H,5-7H2,(H,14,15)
InChIKey
SFXGZJLEKRKUEF-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0099 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01718 155.3
[M+Na]+ 290.99912 157.2
[M+NH4]+ 286.04372 160.0
[M+K]+ 306.97306 158.6
[M-H]- 267.00262 156.4
[M+Na-2H]- 288.98457 157.6
[M]+ 268.00935 154.5
[M]- 268.01045 154.5
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.