CID 6899027

Brn 3551837

Structural Information

Molecular Formula
C10H10Cl2N2O2
SMILES
CCOC(=O)N/N=C/C1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C10H10Cl2N2O2/c1-2-16-10(15)14-13-6-7-8(11)4-3-5-9(7)12/h3-6H,2H2,1H3,(H,14,15)/b13-6+
InChIKey
PELAYKZCZQMFBS-AWNIVKPZSA-N
Compound name
ethyl N-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.01193 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01921 154.2
[M+Na]+ 283.00115 163.3
[M-H]- 259.00465 158.8
[M+NH4]+ 278.04575 172.8
[M+K]+ 298.97509 158.8
[M+H-H2O]+ 243.00919 149.4
[M+HCOO]- 305.01013 172.2
[M+CH3COO]- 319.02578 198.4
[M+Na-2H]- 280.98660 158.8
[M]+ 260.01138 159.4
[M]- 260.01248 159.4
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

patents stripe