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

29
Patents

237.01927 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 145.9
[M+Na]+ 260.00849 161.1
[M+NH4]+ 255.05309 154.2
[M+K]+ 275.98243 154.5
[M-H]- 236.01199 147.4
[M+Na-2H]- 257.99394 152.4
[M]+ 237.01872 148.8
[M]- 237.01982 148.8
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