CID 1134106

7-chloro-2-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
CC1=CC(=C2C=CC(=CC2=N1)Cl)C(=O)O
InChI
InChI=1S/C11H8ClNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15)
InChIKey
WOONUCDWZWZHGF-UHFFFAOYSA-N
Compound name
7-chloro-2-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

221.02435 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.031626 142.3
[M+Na]+ 244.013568 153.4
[M-H]- 220.017074 144.9
[M+NH4]+ 239.058173 161.1
[M+K]+ 259.987508 148.4
[M+H-H2O]+ 204.021610 136.9
[M+HCOO]- 266.022551 158.4
[M+CH3COO]- 280.038201 186.2
[M+Na-2H]- 241.999016 148.6
[M]+ 221.02380142 145.2
[M]- 221.02489858 145.2
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