CID 72857

4-bromo-3-methylphenol

Structural Information

Molecular Formula
C7H7BrO
SMILES
CC1=C(C=CC(=C1)O)Br
InChI
InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey
GPOQODYGMUTOQL-UHFFFAOYSA-N
Compound name
4-bromo-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2141
Patents

185.96803 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97531 128.7
[M+Na]+ 208.95725 133.2
[M+NH4]+ 204.00185 134.4
[M+K]+ 224.93119 133.0
[M-H]- 184.96075 129.7
[M+Na-2H]- 206.94270 133.2
[M]+ 185.96748 128.5
[M]- 185.96858 128.5
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