CID 165996863

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

Structural Information

Molecular Formula
C11H11BrO3
SMILES
C1[C@H]([C@@]1(C2=CC=CC=C2Br)C(=O)O)CO
InChI
InChI=1S/C11H11BrO3/c12-9-4-2-1-3-8(9)11(10(14)15)5-7(11)6-13/h1-4,7,13H,5-6H2,(H,14,15)/t7-,11-/m0/s1
InChIKey
JRKZKSZVYXLRJV-CPCISQLKSA-N
Compound name
(1S,2R)-1-(2-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.98917 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 148.6
[M+Na]+ 292.97839 161.4
[M-H]- 268.98189 156.5
[M+NH4]+ 288.02299 164.8
[M+K]+ 308.95233 149.8
[M+H-H2O]+ 252.98643 149.5
[M+HCOO]- 314.98737 167.2
[M+CH3COO]- 329.00302 191.7
[M+Na-2H]- 290.96384 154.9
[M]+ 269.98862 168.8
[M]- 269.98972 168.8
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.