CID 9589343

Brn 3558017

Structural Information

Molecular Formula
C10H10ClN3O4
SMILES
CCOC(=O)N/N=C/C1=C(C=CC=C1Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H10ClN3O4/c1-2-18-10(15)13-12-6-7-8(11)4-3-5-9(7)14(16)17/h3-6H,2H2,1H3,(H,13,15)/b12-6+
InChIKey
JTYVZCHGDSHQIG-WUXMJOGZSA-N
Compound name
ethyl N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.03598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04326 156.7
[M+Na]+ 294.02520 163.5
[M-H]- 270.02870 161.6
[M+NH4]+ 289.06980 173.1
[M+K]+ 309.99914 157.1
[M+H-H2O]+ 254.03324 155.2
[M+HCOO]- 316.03418 180.7
[M+CH3COO]- 330.04983 194.9
[M+Na-2H]- 292.01065 163.2
[M]+ 271.03543 159.4
[M]- 271.03653 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

No patent data available for this compound.