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]+ 249.95877 147.9
[M+Na]+ 271.94071 156.6
[M-H]- 247.94421 149.8
[M+NH4]+ 266.98531 166.1
[M+K]+ 287.91465 150.4
[M+H-H2O]+ 231.94875 144.7
[M+HCOO]- 293.94969 157.1
[M+CH3COO]- 307.96534 191.8
[M+Na-2H]- 269.92616 150.9
[M]+ 248.95094 149.4
[M]- 248.95204 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.