CID 4114017

Propyl n-(2,4,5-trichlorophenyl)carbamate

Structural Information

Molecular Formula
C10H10Cl3NO2
SMILES
CCCOC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C10H10Cl3NO2/c1-2-3-16-10(15)14-9-5-7(12)6(11)4-8(9)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKey
SHJAOJUERVBUNR-UHFFFAOYSA-N
Compound name
propyl N-(2,4,5-trichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.97772 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.98500 155.9
[M+Na]+ 303.96694 169.6
[M+NH4]+ 299.01154 163.9
[M+K]+ 319.94088 161.9
[M-H]- 279.97044 157.5
[M+Na-2H]- 301.95239 161.7
[M]+ 280.97717 159.1
[M]- 280.97827 159.1
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.