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 142.5
[M+Na]+ 262.96781 155.6
[M-H]- 238.97131 151.7
[M+NH4]+ 258.01241 160.4
[M+K]+ 278.94175 144.8
[M+H-H2O]+ 222.97585 143.4
[M+HCOO]- 284.97679 162.8
[M+CH3COO]- 298.99244 188.4
[M+Na-2H]- 260.95326 150.3
[M]+ 239.97804 162.4
[M]- 239.97914 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.