CID 17040025

7-chloro-2,8-dimethylquinoline-3-carboxylic 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]+ 236.04729 147.5
[M+Na]+ 258.02923 163.3
[M+NH4]+ 253.07383 156.2
[M+K]+ 274.00317 156.2
[M-H]- 234.03273 149.6
[M+Na-2H]- 256.01468 154.0
[M]+ 235.03946 150.7
[M]- 235.04056 150.7
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.