CID 185610

2-bromo-6(5h)-phenanthridinone

Structural Information

Molecular Formula
C13H8BrNO
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C13H8BrNO/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h1-7H,(H,15,16)
InChIKey
OJWSCRAZKRSYIB-UHFFFAOYSA-N
Compound name
2-bromo-5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

272.97894 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.98622 149.3
[M+Na]+ 295.96816 163.7
[M-H]- 271.97166 155.7
[M+NH4]+ 291.01276 169.8
[M+K]+ 311.94210 150.6
[M+H-H2O]+ 255.97620 149.1
[M+HCOO]- 317.97714 168.7
[M+CH3COO]- 331.99279 164.3
[M+Na-2H]- 293.95361 160.6
[M]+ 272.97839 168.6
[M]- 272.97949 168.6
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