CID 6861903

Methyl n-(2,4-dichlorobenzylideneamino)carbamate

Structural Information

Molecular Formula
C9H8Cl2N2O2
SMILES
COC(=O)N/N=C/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2O2/c1-15-9(14)13-12-5-6-2-3-7(10)4-8(6)11/h2-5H,1H3,(H,13,14)/b12-5+
InChIKey
DSMXIGPLIIYFNC-LFYBBSHMSA-N
Compound name
methyl N-[(E)-(2,4-dichlorophenyl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.99628 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00356 148.4
[M+Na]+ 268.98550 161.2
[M+NH4]+ 264.03010 156.4
[M+K]+ 284.95944 154.1
[M-H]- 244.98900 150.9
[M+Na-2H]- 266.97095 155.1
[M]+ 245.99573 151.3
[M]- 245.99683 151.3
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.