CID 17750316

(3-bromo-2-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H9BrO2
SMILES
COC1=C(C=CC=C1Br)CO
InChI
InChI=1S/C8H9BrO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4,10H,5H2,1H3
InChIKey
VUMYHCICIPHSKN-UHFFFAOYSA-N
Compound name
(3-bromo-2-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
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 136.7
[M+Na]+ 238.96781 140.6
[M+NH4]+ 234.01241 141.8
[M+K]+ 254.94175 140.5
[M-H]- 214.97131 137.2
[M+Na-2H]- 236.95326 140.5
[M]+ 215.97804 136.2
[M]- 215.97914 136.2
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