CID 9570798

P-ethoxycarbanilic acid 2,2,2-trichloroacetimidoylamino ester

Structural Information

Molecular Formula
C11H12Cl3N3O3
SMILES
CCOC1=CC=C(C=C1)NC(=O)O/N=C(\C(Cl)(Cl)Cl)/N
InChI
InChI=1S/C11H12Cl3N3O3/c1-2-19-8-5-3-7(4-6-8)16-10(18)20-17-9(15)11(12,13)14/h3-6H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKey
COACHGZYNIWJIR-UHFFFAOYSA-N
Compound name
[(E)-(1-amino-2,2,2-trichloroethylidene)amino] N-(4-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.99442 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00170 172.1
[M+Na]+ 361.98364 181.6
[M+NH4]+ 357.02824 177.9
[M+K]+ 377.95758 176.3
[M-H]- 337.98714 172.7
[M+Na-2H]- 359.96909 176.4
[M]+ 338.99387 174.1
[M]- 338.99497 174.1
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.