CID 35882

5h-benzo(4,5)cyclohepta(1,2-b)pyridin-5-one, 10,11-dihydro-7-chloro-

Structural Information

Molecular Formula
C14H10ClNO
SMILES
C1CC2=C(C=CC=N2)C(=O)C3=C1C=CC(=C3)Cl
InChI
InChI=1S/C14H10ClNO/c15-10-5-3-9-4-6-13-11(2-1-7-16-13)14(17)12(9)8-10/h1-3,5,7-8H,4,6H2
InChIKey
SVWFQLTYQIKJRN-UHFFFAOYSA-N
Compound name
14-chloro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.052366 148.3
[M+Na]+ 266.034308 158.8
[M-H]- 242.037814 153.7
[M+NH4]+ 261.078913 166.9
[M+K]+ 282.008248 156.8
[M+H-H2O]+ 226.042350 142.8
[M+HCOO]- 288.043291 163.9
[M+CH3COO]- 302.058941 161.1
[M+Na-2H]- 264.019756 156.3
[M]+ 243.04454142 147.5
[M]- 243.04563858 147.5
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.