CID 76852

2,6-dibromobenzene-1,4-diol

Structural Information

Molecular Formula
C6H4Br2O2
SMILES
C1=C(C=C(C(=C1Br)O)Br)O
InChI
InChI=1S/C6H4Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
InChIKey
IELUPRVYGHTVHQ-UHFFFAOYSA-N
Compound name
2,6-dibromobenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

149
Patents

265.8578 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.865076 131.7
[M+Na]+ 288.847018 143.4
[M-H]- 264.850524 137.0
[M+NH4]+ 283.891623 151.0
[M+K]+ 304.820958 127.7
[M+H-H2O]+ 248.855060 140.1
[M+HCOO]- 310.856001 146.8
[M+CH3COO]- 324.871651 194.8
[M+Na-2H]- 286.832466 138.9
[M]+ 265.85725142 164.6
[M]- 265.85834858 164.6
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