CID 17040025

7-chloro-2,8-dimethyl-3-quinolinecarboxylic acid

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CC1=C(C=CC2=CC(=C(N=C12)C)C(=O)O)Cl
InChI
InChI=1S/C12H10ClNO2/c1-6-10(13)4-3-8-5-9(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16)
InChIKey
XXJOAECAXTVYHG-UHFFFAOYSA-N
Compound name
7-chloro-2,8-dimethylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.047286 146.7
[M+Na]+ 258.029228 158.3
[M-H]- 234.032734 149.5
[M+NH4]+ 253.073833 165.3
[M+K]+ 274.003168 153.2
[M+H-H2O]+ 218.037270 141.4
[M+HCOO]- 280.038211 162.4
[M+CH3COO]- 294.053861 190.4
[M+Na-2H]- 256.014676 151.8
[M]+ 235.03946142 150.4
[M]- 235.04055858 150.4
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.