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 155.3
[M+Na]+ 303.96694 165.3
[M-H]- 279.97044 157.7
[M+NH4]+ 299.01154 173.0
[M+K]+ 319.94088 159.7
[M+H-H2O]+ 263.97498 152.2
[M+HCOO]- 325.97592 165.2
[M+CH3COO]- 339.99157 198.9
[M+Na-2H]- 301.95239 157.6
[M]+ 280.97717 160.5
[M]- 280.97827 160.5
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.