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 163.2
[M+Na]+ 337.92797 172.1
[M-H]- 313.93147 164.0
[M+NH4]+ 332.97257 178.8
[M+K]+ 353.90191 166.6
[M+H-H2O]+ 297.93601 160.5
[M+HCOO]- 359.93695 165.9
[M+CH3COO]- 373.95260 203.1
[M+Na-2H]- 335.91342 165.3
[M]+ 314.93820 166.4
[M]- 314.93930 166.4
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.