CID 608815

3-bromo-4-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

201.96294 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97022 132.2
[M+Na]+ 224.95216 136.2
[M+NH4]+ 219.99676 137.4
[M+K]+ 240.92610 136.4
[M-H]- 200.95566 132.7
[M+Na-2H]- 222.93761 136.2
[M]+ 201.96239 131.7
[M]- 201.96349 131.7
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