CID 11665533

821791-59-7

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
CN1C=C(C(=CC1=O)Cl)C(=O)O
InChI
InChI=1S/C7H6ClNO3/c1-9-3-4(7(11)12)5(8)2-6(9)10/h2-3H,1H3,(H,11,12)
InChIKey
FDQXWTFEDBWPHE-UHFFFAOYSA-N
Compound name
4-chloro-1-methyl-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

187.00362 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 130.1
[M+Na]+ 209.99284 141.7
[M-H]- 185.99634 132.3
[M+NH4]+ 205.03744 149.4
[M+K]+ 225.96678 138.3
[M+H-H2O]+ 170.00088 125.6
[M+HCOO]- 232.00182 148.1
[M+CH3COO]- 246.01747 178.0
[M+Na-2H]- 207.97829 135.4
[M]+ 187.00307 133.4
[M]- 187.00417 133.4
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