CID 3670790

171270-39-6

Structural Information

Molecular Formula

C₁₁H₈ClNO₂

SMILES

CC1=C(C=C2C=CC(=CC2=N1)Cl)C(=O)O

InChI

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

InChIKey

MBUYIVCGUGFJFH-UHFFFAOYSA-N

Compound name

7-chloro-2-methylquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 221.02435 Da
Monoisotopic Mass: 2.7
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	142.3
[M+Na]+	244.01357	153.4
[M-H]-	220.01707	144.9
[M+NH4]+	239.05817	161.1
[M+K]+	259.98751	148.4
[M+H-H2O]+	204.02161	136.9
[M+HCOO]-	266.02255	158.4
[M+CH3COO]-	280.03820	186.2
[M+Na-2H]-	241.99902	148.6
[M]+	221.02380	145.2
[M]-	221.02490	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe