CID 297382

2-bromo-4-methoxyphenol

Structural Information

Molecular Formula
C7H7BrO2
SMILES
COC1=CC(=C(C=C1)O)Br
InChI
InChI=1S/C7H7BrO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
LTMSUXSPKZRMAB-UHFFFAOYSA-N
Compound name
2-bromo-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

444
Patents

201.96294 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97022 131.4
[M+Na]+ 224.95216 144.0
[M-H]- 200.95566 137.1
[M+NH4]+ 219.99676 153.9
[M+K]+ 240.92610 133.6
[M+H-H2O]+ 184.96020 132.2
[M+HCOO]- 246.96114 153.0
[M+CH3COO]- 260.97679 179.7
[M+Na-2H]- 222.93761 139.7
[M]+ 201.96239 150.8
[M]- 201.96349 150.8
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