CID 12586658

Rac-(1r,2r)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1
InChIKey
DPBUJVBXRABXRH-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
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

literature stripe

Patent stripe

patents stripe