CID 270671

2-chloro-5h-phenanthridin-6-one

Structural Information

Molecular Formula
C13H8ClNO
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C13H8ClNO/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
JMEJAQODRZEIDX-UHFFFAOYSA-N
Compound name
2-chloro-5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

229.02943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03671 143.6
[M+Na]+ 252.01865 156.7
[M-H]- 228.02215 147.3
[M+NH4]+ 247.06325 163.2
[M+K]+ 267.99259 149.3
[M+H-H2O]+ 212.02669 137.5
[M+HCOO]- 274.02763 160.9
[M+CH3COO]- 288.04328 157.4
[M+Na-2H]- 250.00410 154.1
[M]+ 229.02888 146.7
[M]- 229.02998 146.7
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