CID 786380

4-chloro-n-(2,2-dichloro-vinyl)-benzamide

Structural Information

Molecular Formula
C9H6Cl3NO
SMILES
C1=CC(=CC=C1C(=O)NC=C(Cl)Cl)Cl
InChI
InChI=1S/C9H6Cl3NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5H,(H,13,14)
InChIKey
ITZFQOUCEBIXPQ-UHFFFAOYSA-N
Compound name
4-chloro-N-(2,2-dichloroethenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.95149 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.958766 147.9
[M+Na]+ 271.940708 156.6
[M-H]- 247.944214 149.8
[M+NH4]+ 266.985313 166.1
[M+K]+ 287.914648 150.4
[M+H-H2O]+ 231.948750 144.7
[M+HCOO]- 293.949691 157.1
[M+CH3COO]- 307.965341 191.8
[M+Na-2H]- 269.926156 150.9
[M]+ 248.95094142 149.4
[M]- 248.95203858 149.4
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.