CID 10608788

(3-bromo-5-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H9BrO2
SMILES
COC1=CC(=CC(=C1)CO)Br
InChI
InChI=1S/C8H9BrO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
InChIKey
PPWBDINRNWYVFZ-UHFFFAOYSA-N
Compound name
(3-bromo-5-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

215.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.985866 136.1
[M+Na]+ 238.967808 148.2
[M-H]- 214.971314 141.6
[M+NH4]+ 234.012413 158.0
[M+K]+ 254.941748 137.6
[M+H-H2O]+ 198.975850 136.7
[M+HCOO]- 260.976791 157.3
[M+CH3COO]- 274.992441 182.5
[M+Na-2H]- 236.953256 143.9
[M]+ 215.97804142 155.8
[M]- 215.97913858 155.8
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

patents stripe