CID 17040031

7-chloro-8-methylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
CC1=C(C=CC2=CC(=CN=C12)C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO2/c1-6-9(12)3-2-7-4-8(11(14)15)5-13-10(6)7/h2-5H,1H3,(H,14,15)
InChIKey
ZXPHIRMIGFRUSX-UHFFFAOYSA-N
Compound name
7-chloro-8-methylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe