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 153.6
[M+Na]+ 281.02996 160.7
[M-H]- 257.03346 157.3
[M+NH4]+ 276.07456 170.4
[M+K]+ 297.00390 154.0
[M+H-H2O]+ 241.03800 152.9
[M+HCOO]- 303.03894 175.1
[M+CH3COO]- 317.05459 189.0
[M+Na-2H]- 279.01541 159.4
[M]+ 258.04019 156.1
[M]- 258.04129 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.