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]+ 259.048016 153.6
[M+Na]+ 281.029958 160.7
[M-H]- 257.033464 157.3
[M+NH4]+ 276.074563 170.4
[M+K]+ 297.003898 154.0
[M+H-H2O]+ 241.038000 152.9
[M+HCOO]- 303.038941 175.1
[M+CH3COO]- 317.054591 189.0
[M+Na-2H]- 279.015406 159.4
[M]+ 258.04019142 156.1
[M]- 258.04128858 156.1
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.