CID 543093

2,5-dibromo-1,4-benzoquinone

Structural Information

Molecular Formula
C6H2Br2O2
SMILES
C1=C(C(=O)C=C(C1=O)Br)Br
InChI
InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
InChIKey
KNPAQJBQOIAPBP-UHFFFAOYSA-N
Compound name
2,5-dibromocyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

215
Patents

263.84216 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.84944 127.5
[M+Na]+ 286.83138 139.9
[M-H]- 262.83488 134.9
[M+NH4]+ 281.87598 148.0
[M+K]+ 302.80532 125.0
[M+H-H2O]+ 246.83942 136.2
[M+HCOO]- 308.84036 144.4
[M+CH3COO]- 322.85601 197.7
[M+Na-2H]- 284.81683 135.2
[M]+ 263.84161 161.3
[M]- 263.84271 161.3
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