CID 16227966

345965-52-8

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1CC1(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C10H9BrO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
BYJIXWOWTNEVFO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

563
Patents

239.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 142.5
[M+Na]+ 262.967808 155.6
[M-H]- 238.971314 151.7
[M+NH4]+ 258.012413 160.4
[M+K]+ 278.941748 144.8
[M+H-H2O]+ 222.975850 143.4
[M+HCOO]- 284.976791 162.8
[M+CH3COO]- 298.992441 188.4
[M+Na-2H]- 260.953256 150.3
[M]+ 239.97804142 162.4
[M]- 239.97913858 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe