CID 4569341

(2,2,2-trichloro-1-(2,4,6-trichloro-phenylamino)-et)-carbamic acid ethyl ester

Structural Information

Molecular Formula
C11H10Cl6N2O2
SMILES
CCOC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C11H10Cl6N2O2/c1-2-21-10(20)19-9(11(15,16)17)18-8-6(13)3-5(12)4-7(8)14/h3-4,9,18H,2H2,1H3,(H,19,20)
InChIKey
RDRMYYYUTJIZPH-UHFFFAOYSA-N
Compound name
ethyl N-[2,2,2-trichloro-1-(2,4,6-trichloroanilino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.88733 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.89461 186.8
[M+Na]+ 434.87655 192.6
[M-H]- 410.88005 183.5
[M+NH4]+ 429.92115 196.8
[M+K]+ 450.85049 188.6
[M+H-H2O]+ 394.88459 184.7
[M+HCOO]- 456.88553 178.6
[M+CH3COO]- 470.90118 222.8
[M+Na-2H]- 432.86200 183.3
[M]+ 411.88678 185.4
[M]- 411.88788 185.4
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.