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]+ 240.98587 137.4
[M+Na]+ 262.96781 142.4
[M+NH4]+ 258.01241 144.2
[M+K]+ 278.94175 142.5
[M-H]- 238.97131 144.7
[M+Na-2H]- 260.95326 145.5
[M]+ 239.97804 140.2
[M]- 239.97914 140.2
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.