CID 273277

2,5-bis(4-bromophenyl)-3,6-dihydroxybenzo-1,4-quinone

Structural Information

Molecular Formula
C18H10Br2O4
SMILES
C1=CC(=CC=C1C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)Br)O)Br
InChI
InChI=1S/C18H10Br2O4/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,21,24H
InChIKey
BCQTUZLLEOJZLX-UHFFFAOYSA-N
Compound name
2,5-bis(4-bromophenyl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.8946 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.90188 173.9
[M+Na]+ 470.88382 183.9
[M-H]- 446.88732 183.6
[M+NH4]+ 465.92842 186.9
[M+K]+ 486.85776 168.4
[M+H-H2O]+ 430.89186 180.4
[M+HCOO]- 492.89280 186.9
[M+CH3COO]- 506.90845 222.1
[M+Na-2H]- 468.86927 176.2
[M]+ 447.89405 207.2
[M]- 447.89515 207.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.