CID 839978

99429-65-9

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)O)Cl
InChI
InChI=1S/C10H6ClNO3/c11-8-5-3-1-2-4-6(5)12-9(13)7(8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey
NTCNBKQOUPVIJW-UHFFFAOYSA-N
Compound name
4-chloro-2-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.00362 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 140.1
[M+Na]+ 245.99284 151.4
[M-H]- 221.99634 141.6
[M+NH4]+ 241.03744 158.1
[M+K]+ 261.96678 145.8
[M+H-H2O]+ 206.00088 135.2
[M+HCOO]- 268.00182 155.4
[M+CH3COO]- 282.01747 182.2
[M+Na-2H]- 243.97829 146.6
[M]+ 223.00307 141.6
[M]- 223.00417 141.6
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