CID 458148

2,5-dibromo-3,6-diphenylhydroquinone

Structural Information

Molecular Formula
C18H12Br2O2
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=C2Br)O)C3=CC=CC=C3)Br)O
InChI
InChI=1S/C18H12Br2O2/c19-15-13(11-7-3-1-4-8-11)17(21)16(20)14(18(15)22)12-9-5-2-6-10-12/h1-10,21-22H
InChIKey
WQAHOHIKJXPAIG-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,6-diphenylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.9204 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.92768 172.2
[M+Na]+ 440.90962 181.9
[M-H]- 416.91312 181.7
[M+NH4]+ 435.95422 186.2
[M+K]+ 456.88356 166.0
[M+H-H2O]+ 400.91766 179.3
[M+HCOO]- 462.91860 186.0
[M+CH3COO]- 476.93425 184.1
[M+Na-2H]- 438.89507 176.2
[M]+ 417.91985 205.0
[M]- 417.92095 205.0
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.