CID 4523524

2-chloroethyl (3-nitrophenyl)carbamate

Structural Information

Molecular Formula
C9H9ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)OCCCl
InChI
InChI=1S/C9H9ClN2O4/c10-4-5-16-9(13)11-7-2-1-3-8(6-7)12(14)15/h1-3,6H,4-5H2,(H,11,13)
InChIKey
GJFUZJAIXRKMEV-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02509 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03237 147.4
[M+Na]+ 267.01431 159.6
[M+NH4]+ 262.05891 154.6
[M+K]+ 282.98825 156.5
[M-H]- 243.01781 150.0
[M+Na-2H]- 264.99976 153.1
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.