CID 2887368

2,2,2-trichloro-1-(2,4-dimethylanilino)ethylformamide

Structural Information

Molecular Formula
C11H13Cl3N2O
SMILES
CC1=CC(=C(C=C1)NC(C(Cl)(Cl)Cl)NC=O)C
InChI
InChI=1S/C11H13Cl3N2O/c1-7-3-4-9(8(2)5-7)16-10(15-6-17)11(12,13)14/h3-6,10,16H,1-2H3,(H,15,17)
InChIKey
BZAXPKASKBNGMV-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(2,4-dimethylanilino)ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.00934 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01662 164.0
[M+Na]+ 316.99856 172.1
[M-H]- 293.00206 166.0
[M+NH4]+ 312.04316 180.5
[M+K]+ 332.97250 166.1
[M+H-H2O]+ 277.00660 160.4
[M+HCOO]- 339.00754 172.6
[M+CH3COO]- 353.02319 204.4
[M+Na-2H]- 314.98401 167.0
[M]+ 294.00879 166.7
[M]- 294.00989 166.7
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.