CID 9578577

Brn 1961386

Structural Information

Molecular Formula
C9H8Cl2N2O
SMILES
CC(=O)N/N=C/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2O/c1-6(14)13-12-5-7-2-3-8(10)4-9(7)11/h2-5H,1H3,(H,13,14)/b12-5+
InChIKey
KOILOACRBBDOAY-LFYBBSHMSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.00137 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00865 147.0
[M+Na]+ 252.99059 156.5
[M-H]- 228.99409 151.7
[M+NH4]+ 248.03519 166.7
[M+K]+ 268.96453 151.6
[M+H-H2O]+ 212.99863 142.5
[M+HCOO]- 274.99957 165.0
[M+CH3COO]- 289.01522 194.1
[M+Na-2H]- 250.97604 152.1
[M]+ 230.00082 150.4
[M]- 230.00192 150.4
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

No patent data available for this compound.