CID 84682379

93710-52-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98587 136.1
[M+Na]+ 238.96781 148.2
[M-H]- 214.97131 141.6
[M+NH4]+ 234.01241 158.0
[M+K]+ 254.94175 137.6
[M+H-H2O]+ 198.97585 136.7
[M+HCOO]- 260.97679 157.3
[M+CH3COO]- 274.99244 182.5
[M+Na-2H]- 236.95326 143.9
[M]+ 215.97804 155.8
[M]- 215.97914 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