CID 557383

5-bromoresorcinol

Structural Information

Molecular Formula
C6H5BrO2
SMILES
C1=C(C=C(C=C1O)Br)O
InChI
InChI=1S/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChIKey
HYHHGFFTWSYNMV-UHFFFAOYSA-N
Compound name
5-bromobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

545
Patents

187.9473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95458 127.9
[M+Na]+ 210.93652 140.4
[M-H]- 186.94002 132.4
[M+NH4]+ 205.98112 150.2
[M+K]+ 226.91046 129.3
[M+H-H2O]+ 170.94456 129.0
[M+HCOO]- 232.94550 148.3
[M+CH3COO]- 246.96115 174.5
[M+Na-2H]- 208.92197 136.2
[M]+ 187.94675 145.2
[M]- 187.94785 145.2
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