CID 3667375

6-chloro-2-methylquinoline-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
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 143.0
[M+Na]+ 244.01357 158.6
[M+NH4]+ 239.05817 151.9
[M+K]+ 259.98751 151.5
[M-H]- 220.01707 145.0
[M+Na-2H]- 241.99902 149.9
[M]+ 221.02380 146.2
[M]- 221.02490 146.2
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