CID 88175

19643-45-9

Structural Information

Molecular Formula
C6H2Br2O2
SMILES
C1=C(C(=O)C(=CC1=O)Br)Br
InChI
InChI=1S/C6H2Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKey
FGHCYIPZQUMLRQ-UHFFFAOYSA-N
Compound name
2,6-dibromocyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

262
Patents

263.84216 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.849436 127.5
[M+Na]+ 286.831378 139.9
[M-H]- 262.834884 134.9
[M+NH4]+ 281.875983 148.0
[M+K]+ 302.805318 125.0
[M+H-H2O]+ 246.839420 136.2
[M+HCOO]- 308.840361 144.4
[M+CH3COO]- 322.856011 197.7
[M+Na-2H]- 284.816826 135.2
[M]+ 263.84161142 161.3
[M]- 263.84270858 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