CID 334077

2-bromo-5-methylhydroquinone

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

74
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 131.8
[M+Na]+ 224.95216 144.8
[M-H]- 200.95566 136.5
[M+NH4]+ 219.99676 153.9
[M+K]+ 240.92610 133.5
[M+H-H2O]+ 184.96020 132.9
[M+HCOO]- 246.96114 151.9
[M+CH3COO]- 260.97679 178.4
[M+Na-2H]- 222.93761 139.0
[M]+ 201.96239 149.8
[M]- 201.96349 149.8
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