CID 3014205

4-bromo-5-methylbenzene-1,3-diol

Structural Information

Molecular Formula
C7H7BrO2
SMILES
CC1=CC(=CC(=C1Br)O)O
InChI
InChI=1S/C7H7BrO2/c1-4-2-5(9)3-6(10)7(4)8/h2-3,9-10H,1H3
InChIKey
GLJLCZSVSWEONA-UHFFFAOYSA-N
Compound name
4-bromo-5-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

201.96294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97022 132.7
[M+Na]+ 224.95216 136.6
[M+NH4]+ 219.99676 137.6
[M+K]+ 240.92610 137.2
[M-H]- 200.95566 132.8
[M+Na-2H]- 222.93761 135.9
[M]+ 201.96239 132.1
[M]- 201.96349 132.1
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