CID 15468755

(2-bromo-1,3-phenylene)dimethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
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 137.2
[M+Na]+ 238.96781 148.9
[M-H]- 214.97131 141.3
[M+NH4]+ 234.01241 158.4
[M+K]+ 254.94175 137.3
[M+H-H2O]+ 198.97585 137.9
[M+HCOO]- 260.97679 157.0
[M+CH3COO]- 274.99244 180.1
[M+Na-2H]- 236.95326 144.4
[M]+ 215.97804 155.1
[M]- 215.97914 155.1
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