CID 5098721

Phenyl n-(2,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C13H9Cl2NO2
SMILES
C1=CC=C(C=C1)OC(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2NO2/c14-9-6-7-12(11(15)8-9)16-13(17)18-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKey
JYUGPEZWUUTBNN-UHFFFAOYSA-N
Compound name
phenyl N-(2,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

281.00104 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.00832 157.5
[M+Na]+ 303.99026 166.9
[M-H]- 279.99376 163.9
[M+NH4]+ 299.03486 174.5
[M+K]+ 319.96420 161.0
[M+H-H2O]+ 263.99830 151.8
[M+HCOO]- 325.99924 173.3
[M+CH3COO]- 340.01489 197.2
[M+Na-2H]- 301.97571 162.6
[M]+ 281.00049 161.3
[M]- 281.00159 161.3
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

patents stripe