CID 51888142

175168-70-4

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2Br
InChI
InChI=1S/C10H9BrO2/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13/h1-4,7-8H,5H2,(H,12,13)/t7-,8+/m0/s1
InChIKey
SJXGNJABBYVEHY-JGVFFNPUSA-N
Compound name
(1R,2R)-2-(2-bromophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 142.1
[M+Na]+ 262.96781 155.3
[M-H]- 238.97131 151.2
[M+NH4]+ 258.01241 158.4
[M+K]+ 278.94175 143.5
[M+H-H2O]+ 222.97585 141.9
[M+HCOO]- 284.97679 162.6
[M+CH3COO]- 298.99244 189.8
[M+Na-2H]- 260.95326 148.2
[M]+ 239.97804 161.7
[M]- 239.97914 161.7
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

patents stripe