CID 9570798

Carbanilic acid, p-ethoxy-, 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 172.4
[M+Na]+ 361.98364 179.3
[M-H]- 337.98714 175.4
[M+NH4]+ 357.02824 187.0
[M+K]+ 377.95758 175.0
[M+H-H2O]+ 321.99168 168.1
[M+HCOO]- 383.99262 182.9
[M+CH3COO]- 398.00827 212.0
[M+Na-2H]- 359.96909 175.2
[M]+ 338.99387 176.4
[M]- 338.99497 176.4
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.