CID 35882

31721-92-3

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]+ 244.05237 147.9
[M+Na]+ 266.03431 162.7
[M+NH4]+ 261.07891 157.4
[M+K]+ 282.00825 155.2
[M-H]- 242.03781 151.4
[M+Na-2H]- 264.01976 155.6
[M]+ 243.04454 151.5
[M]- 243.04564 151.5
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.