CID 788669

2-chloro-7-methoxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO3/c1-16-7-3-2-6-4-8(11(14)15)10(12)13-9(6)5-7/h2-5H,1H3,(H,14,15)
InChIKey
BTVKBYHEJQZDQT-UHFFFAOYSA-N
Compound name
2-chloro-7-methoxyquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

237.01927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.026546 145.1
[M+Na]+ 260.008488 156.0
[M-H]- 236.011994 147.7
[M+NH4]+ 255.053093 163.2
[M+K]+ 275.982428 151.7
[M+H-H2O]+ 220.016530 139.5
[M+HCOO]- 282.017471 161.4
[M+CH3COO]- 296.033121 188.3
[M+Na-2H]- 257.993936 151.5
[M]+ 237.01872142 149.5
[M]- 237.01981858 149.5
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