CID 2887192

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

Structural Information

Molecular Formula
C9H7Cl5N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(C(Cl)(Cl)Cl)NC=O
InChI
InChI=1S/C9H7Cl5N2O/c10-5-1-2-7(6(11)3-5)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)
InChIKey
JSGQCYOVXAAVIY-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(2,4-dichloroanilino)ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.90012 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.90740 170.3
[M+Na]+ 356.88934 177.5
[M-H]- 332.89284 168.8
[M+NH4]+ 351.93394 183.7
[M+K]+ 372.86328 171.9
[M+H-H2O]+ 316.89738 167.8
[M+HCOO]- 378.89832 168.2
[M+CH3COO]- 392.91397 210.0
[M+Na-2H]- 354.87479 170.8
[M]+ 333.89957 169.5
[M]- 333.90067 169.5
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.