CID 310713

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

Structural Information

Molecular Formula
C9H8Cl2N2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)OCCCl
InChI
InChI=1S/C9H8Cl2N2O4/c10-3-4-17-9(14)12-8-2-1-6(13(15)16)5-7(8)11/h1-2,5H,3-4H2,(H,12,14)
InChIKey
SHQBPTLHLKKABS-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(2-chloro-4-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.9861 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99338 155.6
[M+Na]+ 300.97532 163.1
[M-H]- 276.97882 158.5
[M+NH4]+ 296.01992 171.8
[M+K]+ 316.94926 155.5
[M+H-H2O]+ 260.98336 156.0
[M+HCOO]- 322.98430 172.3
[M+CH3COO]- 336.99995 190.6
[M+Na-2H]- 298.96077 160.9
[M]+ 277.98555 158.9
[M]- 277.98665 158.9
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