CID 22497907

5-bromobenzene-1,2,3-triol

Structural Information

Molecular Formula
C6H5BrO3
SMILES
C1=C(C=C(C(=C1O)O)O)Br
InChI
InChI=1S/C6H5BrO3/c7-3-1-4(8)6(10)5(9)2-3/h1-2,8-10H
InChIKey
GZKWULQSPPFVMV-UHFFFAOYSA-N
Compound name
5-bromobenzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

203.94221 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.949486 131.0
[M+Na]+ 226.931428 143.7
[M-H]- 202.934934 134.4
[M+NH4]+ 221.976033 152.1
[M+K]+ 242.905368 132.2
[M+H-H2O]+ 186.939470 132.0
[M+HCOO]- 248.940411 150.0
[M+CH3COO]- 262.956061 175.3
[M+Na-2H]- 224.916876 138.0
[M]+ 203.94166142 148.1
[M]- 203.94275858 148.1
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