CID 2790328

Ethyl n-(4-chloro-2-nitrophenyl)carbamate

Structural Information

Molecular Formula
C9H9ClN2O4
SMILES
CCOC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H9ClN2O4/c1-2-16-9(13)11-7-4-3-6(10)5-8(7)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKey
LPFZHMHGCBYDEJ-UHFFFAOYSA-N
Compound name
ethyl N-(4-chloro-2-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

244.02509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03237 147.3
[M+Na]+ 267.01431 159.9
[M+NH4]+ 262.05891 154.5
[M+K]+ 282.98825 157.0
[M-H]- 243.01781 150.0
[M+Na-2H]- 264.99976 152.8
[M]+ 244.02454 149.8
[M]- 244.02564 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.