CID 3044300

Scs 96

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
CCOC(=O)N(C1=CC(=CC=C1)Cl)C(=O)N
InChI
InChI=1S/C10H11ClN2O3/c1-2-16-10(15)13(9(12)14)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H2,12,14)
InChIKey
NEGMEIHYNPTRGY-UHFFFAOYSA-N
Compound name
ethyl N-carbamoyl-N-(3-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]+ 243.05310 150.4
[M+Na]+ 265.03504 160.6
[M+NH4]+ 260.07964 157.2
[M+K]+ 281.00898 156.2
[M-H]- 241.03854 151.9
[M+Na-2H]- 263.02049 155.5
[M]+ 242.04527 152.2
[M]- 242.04637 152.2
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.