CID 6907742

Brn 4252582

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C(=O)N)Cl
InChI
InChI=1S/C9H8ClN3O2/c10-7-4-2-1-3-6(7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15)/b12-5+
InChIKey
DLCJTCFPYCRHFP-LFYBBSHMSA-N
Compound name
N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 147.2
[M+Na]+ 248.01972 154.6
[M-H]- 224.02322 152.0
[M+NH4]+ 243.06432 165.7
[M+K]+ 263.99366 151.4
[M+H-H2O]+ 208.02776 141.3
[M+HCOO]- 270.02870 170.3
[M+CH3COO]- 284.04435 194.3
[M+Na-2H]- 246.00517 151.9
[M]+ 225.02995 147.5
[M]- 225.03105 147.5
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.