CID 14146168

118672-71-2

Structural Information

Molecular Formula

C₁₁H₈ClNO₂

SMILES

CN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C=O

InChI

InChI=1S/C11H8ClNO2/c1-13-10-5-9(12)3-2-7(10)4-8(6-14)11(13)15/h2-6H,1H3

InChIKey

CZBBHBZJQMHYEA-UHFFFAOYSA-N

Compound name

7-chloro-1-methyl-2-oxoquinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.02435 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.03163	141.0
[M+Na]+	244.01357	154.0
[M-H]-	220.01707	145.3
[M+NH4]+	239.05817	160.9
[M+K]+	259.98751	148.9
[M+H-H2O]+	204.02161	135.4
[M+HCOO]-	266.02255	159.7
[M+CH3COO]-	280.03820	188.3
[M+Na-2H]-	241.99902	148.2
[M]+	221.02380	146.0
[M]-	221.02490	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe