CID 334077

67289-05-8

Structural Information

Molecular Formula
C7H7BrO2
SMILES
CC1=CC(=C(C=C1O)Br)O
InChI
InChI=1S/C7H7BrO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3,9-10H,1H3
InChIKey
RYCDETQSXYAKQS-UHFFFAOYSA-N
Compound name
2-bromo-5-methylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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

No literature data available for this compound.

Patent stripe

patents stripe