CID 2785122

100517-42-8

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C=O)Cl
InChI
InChI=1S/C10H6ClNO2/c11-9-6-3-1-2-4-8(6)12-10(14)7(9)5-13/h1-5H,(H,12,14)
InChIKey
YOPNXXIYWLPSPA-UHFFFAOYSA-N
Compound name
4-chloro-2-oxo-1H-quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

207.00871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.015986 137.2
[M+Na]+ 229.997928 149.3
[M-H]- 206.001434 139.9
[M+NH4]+ 225.042533 156.6
[M+K]+ 245.971868 143.5
[M+H-H2O]+ 190.005970 131.9
[M+HCOO]- 252.006911 154.8
[M+CH3COO]- 266.022561 181.6
[M+Na-2H]- 227.983376 145.2
[M]+ 207.00816142 139.6
[M]- 207.00925858 139.6
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