CID 4140211

2-chloroethyl n-(2-methyl-5-nitrophenyl)carbamate

Structural Information

Molecular Formula
C10H11ClN2O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)OCCCl
InChI
InChI=1S/C10H11ClN2O4/c1-7-2-3-8(13(15)16)6-9(7)12-10(14)17-5-4-11/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKey
DOIIBUFUZDBBEN-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(2-methyl-5-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04074 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04802 151.9
[M+Na]+ 281.02996 164.2
[M+NH4]+ 276.07456 158.9
[M+K]+ 297.00390 161.1
[M-H]- 257.03346 154.5
[M+Na-2H]- 279.01541 157.1
[M]+ 258.04019 154.3
[M]- 258.04129 154.3
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.