CID 2847540

29176-54-3

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
CN1C(=O)C=CC2=C1C3=C(C=C2)C=CC(=N3)Cl
InChI
InChI=1S/C13H9ClN2O/c1-16-11(17)7-5-9-3-2-8-4-6-10(14)15-12(8)13(9)16/h2-7H,1H3
InChIKey
YXXDYYVBJXXVFC-UHFFFAOYSA-N
Compound name
9-chloro-1-methyl-1,10-phenanthrolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

244.04034 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04762 149.0
[M+Na]+ 267.02956 163.3
[M-H]- 243.03306 152.8
[M+NH4]+ 262.07416 167.5
[M+K]+ 283.00350 156.6
[M+H-H2O]+ 227.03760 141.5
[M+HCOO]- 289.03854 166.3
[M+CH3COO]- 303.05419 162.8
[M+Na-2H]- 265.01501 158.9
[M]+ 244.03979 154.6
[M]- 244.04089 154.6
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