CID 17039951

5-chloro-8-methylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
CC1=C2C(=C(C=C1)Cl)C=C(C=N2)C(=O)O
InChI
InChI=1S/C11H8ClNO2/c1-6-2-3-9(12)8-4-7(11(14)15)5-13-10(6)8/h2-5H,1H3,(H,14,15)
InChIKey
CMJTVPDKPRZDHT-UHFFFAOYSA-N
Compound name
5-chloro-8-methylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02435 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.