CID 10514234

(1s,2s)-2-(2-bromophenyl)cyclopropane-1-carboxylic acid

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+/m1/s1
InChIKey
SJXGNJABBYVEHY-SFYZADRCSA-N
Compound name
(1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 134.8
[M+Na]+ 262.96781 140.0
[M+NH4]+ 258.01241 140.4
[M+K]+ 278.94175 141.6
[M-H]- 238.97131 142.0
[M+Na-2H]- 260.95326 141.5
[M]+ 239.97804 137.4
[M]- 239.97914 137.4
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

patents stripe