CID 2764481

338977-77-8

Structural Information

Molecular Formula
C13H8Cl3NO3
SMILES
C1=CC(=C(C=C1Cl)Cl)CN2C=C(C=C(C2=O)C(=O)O)Cl
InChI
InChI=1S/C13H8Cl3NO3/c14-8-2-1-7(11(16)4-8)5-17-6-9(15)3-10(12(17)18)13(19)20/h1-4,6H,5H2,(H,19,20)
InChIKey
KQPVAFFLHGYNMP-UHFFFAOYSA-N
Compound name
5-chloro-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.95697 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.96425 161.5
[M+Na]+ 353.94619 173.6
[M-H]- 329.94969 165.0
[M+NH4]+ 348.99079 175.5
[M+K]+ 369.92013 166.8
[M+H-H2O]+ 313.95423 156.4
[M+HCOO]- 375.95517 168.4
[M+CH3COO]- 389.97082 203.7
[M+Na-2H]- 351.93164 163.1
[M]+ 330.95642 166.8
[M]- 330.95752 166.8
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

No patent data available for this compound.