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 156.2
[M+Na]+ 290.99912 166.0
[M-H]- 267.00262 164.0
[M+NH4]+ 286.04372 177.2
[M+K]+ 306.97306 154.7
[M+H-H2O]+ 251.00716 156.4
[M+HCOO]- 313.00810 174.9
[M+CH3COO]- 327.02375 190.3
[M+Na-2H]- 288.98457 158.6
[M]+ 268.00935 171.7
[M]- 268.01045 171.7
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.