CID 9562665

2-pyridinecarboxaldehyde, o-((3,4-dichlorophenyl)carbamoyl)oxime

Structural Information

Molecular Formula
C13H9Cl2N3O2
SMILES
C1=CC=NC(=C1)/C=N/OC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2N3O2/c14-11-5-4-9(7-12(11)15)18-13(19)20-17-8-10-3-1-2-6-16-10/h1-8H,(H,18,19)/b17-8+
InChIKey
MOBLGIPWAAUSCI-CAOOACKPSA-N
Compound name
[(E)-pyridin-2-ylmethylideneamino] N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.00717 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.014446 165.4
[M+Na]+ 331.996388 174.4
[M-H]- 307.999894 171.5
[M+NH4]+ 327.040993 180.1
[M+K]+ 347.970328 168.8
[M+H-H2O]+ 292.004430 157.7
[M+HCOO]- 354.005371 182.4
[M+CH3COO]- 368.021021 205.7
[M+Na-2H]- 329.981836 171.3
[M]+ 309.00662142 169.9
[M]- 309.00771858 169.9
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.