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

54
Patents

215.97859 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98587 138.5
[M+Na]+ 238.96781 149.0
[M-H]- 214.97131 142.3
[M+NH4]+ 234.01241 159.3
[M+K]+ 254.94175 137.9
[M+H-H2O]+ 198.97585 139.1
[M+HCOO]- 260.97679 157.3
[M+CH3COO]- 274.99244 179.8
[M+Na-2H]- 236.95326 145.1
[M]+ 215.97804 155.4
[M]- 215.97914 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