CID 10798791

(4-bromo-1,2-phenylene)dimethanol

Structural Information

Molecular Formula
C8H9BrO2
SMILES
C1=CC(=C(C=C1Br)CO)CO
InChI
InChI=1S/C8H9BrO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5H2
InChIKey
GFQKHXCSNFITHX-UHFFFAOYSA-N
Compound name
[4-bromo-2-(hydroxymethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

215.97859 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98587 137.8
[M+Na]+ 238.96781 141.2
[M+NH4]+ 234.01241 142.5
[M+K]+ 254.94175 141.3
[M-H]- 214.97131 137.8
[M+Na-2H]- 236.95326 140.9
[M]+ 215.97804 137.0
[M]- 215.97914 137.0
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