CID 130017266

90767-37-6

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC2=CC(=CC(=C2N=C1)Cl)C(=O)N
InChI
InChI=1S/C10H7ClN2O/c11-8-5-7(10(12)14)4-6-2-1-3-13-9(6)8/h1-5H,(H2,12,14)
InChIKey
UMBKBGSQMDNROW-UHFFFAOYSA-N
Compound name
8-chloroquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.8
[M+Na]+ 229.013908 150.1
[M-H]- 205.017414 142.9
[M+NH4]+ 224.058513 159.1
[M+K]+ 244.987848 145.2
[M+H-H2O]+ 189.021950 133.9
[M+HCOO]- 251.022891 157.9
[M+CH3COO]- 265.038541 186.7
[M+Na-2H]- 226.999356 147.1
[M]+ 206.02414142 140.7
[M]- 206.02523858 140.7
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.