CID 13355311

2-bromo-1-phenylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1C(C1(C2=CC=CC=C2)C(=O)O)Br
InChI
InChI=1S/C10H9BrO2/c11-8-6-10(8,9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)
InChIKey
ROLRQMRYWTXDCH-UHFFFAOYSA-N
Compound name
2-bromo-1-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97859 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.