CID 258450

3,6-dibromophenanthrene-9,10-quinone

Structural Information

Molecular Formula
C14H6Br2O2
SMILES
C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O
InChI
InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
InChIKey
WPEJBJRFPBMVGJ-UHFFFAOYSA-N
Compound name
3,6-dibromophenanthrene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

328
Patents

363.87344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.88072 153.8
[M+Na]+ 386.86266 165.8
[M-H]- 362.86616 162.2
[M+NH4]+ 381.90726 172.7
[M+K]+ 402.83660 150.8
[M+H-H2O]+ 346.87070 162.1
[M+HCOO]- 408.87164 168.0
[M+CH3COO]- 422.88729 167.7
[M+Na-2H]- 384.84811 161.1
[M]+ 363.87289 188.3
[M]- 363.87399 188.3
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