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

188
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 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

No literature data available for this compound.

Patent stripe

patents stripe