CID 63376982

902742-95-4

Structural Information

Molecular Formula
C12H10ClNO4
SMILES
COC1=C(C=C2C(=C1)C(=CC(=N2)C(=O)O)Cl)OC
InChI
InChI=1S/C12H10ClNO4/c1-17-10-3-6-7(13)4-9(12(15)16)14-8(6)5-11(10)18-2/h3-5H,1-2H3,(H,15,16)
InChIKey
NKAFCGDZPKOKRT-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dimethoxyquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02985 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03713 152.1
[M+Na]+ 290.01907 163.4
[M-H]- 266.02257 155.0
[M+NH4]+ 285.06367 169.2
[M+K]+ 305.99301 159.6
[M+H-H2O]+ 250.02711 146.4
[M+HCOO]- 312.02805 168.2
[M+CH3COO]- 326.04370 194.7
[M+Na-2H]- 288.00452 157.4
[M]+ 267.02930 158.7
[M]- 267.03040 158.7
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.