CID 4138732

2,2,2-trichloroethyl n-(3-chloro-4-methylphenyl)carbamate

Structural Information

Molecular Formula
C10H9Cl4NO2
SMILES
CC1=C(C=C(C=C1)NC(=O)OCC(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C10H9Cl4NO2/c1-6-2-3-7(4-8(6)11)15-9(16)17-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKey
GOFZWEWFHMIEPX-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl N-(3-chloro-4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.93875 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.94603 166.7
[M+Na]+ 337.92797 179.4
[M+NH4]+ 332.97257 174.0
[M+K]+ 353.90191 172.1
[M-H]- 313.93147 167.1
[M+Na-2H]- 335.91342 171.8
[M]+ 314.93820 169.7
[M]- 314.93930 169.7
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.