CID 4086215

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

Structural Information

Molecular Formula
C9H7Cl4NO2
SMILES
C1=CC(=CC=C1OC(C(Cl)(Cl)Cl)NC=O)Cl
InChI
InChI=1S/C9H7Cl4NO2/c10-6-1-3-7(4-2-6)16-8(14-5-15)9(11,12)13/h1-5,8H,(H,14,15)
InChIKey
SZZDHXYIAMONDM-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.9231 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.93038 158.6
[M+Na]+ 323.91232 166.9
[M-H]- 299.91582 159.2
[M+NH4]+ 318.95692 174.3
[M+K]+ 339.88626 161.5
[M+H-H2O]+ 283.92036 155.8
[M+HCOO]- 345.92130 161.5
[M+CH3COO]- 359.93695 200.5
[M+Na-2H]- 321.89777 161.9
[M]+ 300.92255 161.3
[M]- 300.92365 161.3
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.