CID 3054379

Ethyl (aminocarbonyl)(4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
CCOC(=O)N(C1=CC=C(C=C1)Cl)C(=O)N
InChI
InChI=1S/C10H11ClN2O3/c1-2-16-10(15)13(9(12)14)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,14)
InChIKey
JBXRVPQIENCZJO-UHFFFAOYSA-N
Compound name
ethyl N-carbamoyl-N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.053096 151.0
[M+Na]+ 265.035038 158.3
[M-H]- 241.038544 155.8
[M+NH4]+ 260.079643 169.2
[M+K]+ 281.008978 156.5
[M+H-H2O]+ 225.043080 145.2
[M+HCOO]- 287.044021 171.9
[M+CH3COO]- 301.059671 196.1
[M+Na-2H]- 263.020486 153.8
[M]+ 242.04527142 154.0
[M]- 242.04636858 154.0
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.