CID 10998455

160332-70-7

Structural Information

Molecular Formula
C8H9BrO2
SMILES
C1=CC(=CC=C1[C@@H](CO)O)Br
InChI
InChI=1S/C8H9BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
InChIKey
ZDPJGAWPRHNQHI-MRVPVSSYSA-N
Compound name
(1S)-1-(4-bromophenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

215.97859 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.985866 138.5
[M+Na]+ 238.967808 149.0
[M-H]- 214.971314 142.3
[M+NH4]+ 234.012413 159.3
[M+K]+ 254.941748 137.9
[M+H-H2O]+ 198.975850 139.1
[M+HCOO]- 260.976791 157.3
[M+CH3COO]- 274.992441 179.8
[M+Na-2H]- 236.953256 145.1
[M]+ 215.97804142 155.4
[M]- 215.97913858 155.4
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