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 148.8
[M+Na]+ 267.01431 156.3
[M-H]- 243.01781 152.6
[M+NH4]+ 262.05891 166.0
[M+K]+ 282.98825 149.8
[M+H-H2O]+ 227.02235 148.2
[M+HCOO]- 289.02329 170.6
[M+CH3COO]- 303.03894 186.0
[M+Na-2H]- 264.99976 155.1
[M]+ 244.02454 150.9
[M]- 244.02564 150.9
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.