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]+ 310.01445 165.4
[M+Na]+ 331.99639 174.4
[M-H]- 307.99989 171.5
[M+NH4]+ 327.04099 180.1
[M+K]+ 347.97033 168.8
[M+H-H2O]+ 292.00443 157.7
[M+HCOO]- 354.00537 182.4
[M+CH3COO]- 368.02102 205.7
[M+Na-2H]- 329.98184 171.3
[M]+ 309.00662 169.9
[M]- 309.00772 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.