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 149.6
[M+Na]+ 268.98550 159.1
[M-H]- 244.98900 154.4
[M+NH4]+ 264.03010 168.7
[M+K]+ 284.95944 154.8
[M+H-H2O]+ 228.99354 144.9
[M+HCOO]- 290.99448 167.9
[M+CH3COO]- 305.01013 195.5
[M+Na-2H]- 266.97095 154.7
[M]+ 245.99573 154.3
[M]- 245.99683 154.3
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.