CID 24777942

864226-30-2

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1CC2=C(C=C(C(=N2)Cl)C#N)C(=O)C1
InChI
InChI=1S/C10H7ClN2O/c11-10-6(5-12)4-7-8(13-10)2-1-3-9(7)14/h4H,1-3H2
InChIKey
QCJHTNHNYABOAL-UHFFFAOYSA-N
Compound name
2-chloro-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.02469 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.031966 141.0
[M+Na]+ 229.013908 153.5
[M-H]- 205.017414 143.6
[M+NH4]+ 224.058513 158.9
[M+K]+ 244.987848 146.8
[M+H-H2O]+ 189.021950 129.1
[M+HCOO]- 251.022891 153.9
[M+CH3COO]- 265.038541 152.8
[M+Na-2H]- 226.999356 146.9
[M]+ 206.02414142 136.4
[M]- 206.02523858 136.4
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

patents stripe