CID 9574249

2clphcon2 cl3cc

Structural Information

Molecular Formula
C9H6Cl4N2O
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C9H6Cl4N2O/c10-7-4-2-1-3-6(7)8(16)15-14-5-9(11,12)13/h1-5H,(H,15,16)/b14-5+
InChIKey
OKRDREYWUGXESF-LHHJGKSTSA-N
Compound name
2-chloro-N-[(E)-2,2,2-trichloroethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.92343 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.93071 162.9
[M+Na]+ 320.91265 171.2
[M-H]- 296.91615 164.5
[M+NH4]+ 315.95725 179.0
[M+K]+ 336.88659 165.4
[M+H-H2O]+ 280.92069 159.5
[M+HCOO]- 342.92163 167.9
[M+CH3COO]- 356.93728 203.4
[M+Na-2H]- 318.89810 166.3
[M]+ 297.92288 164.5
[M]- 297.92398 164.5
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.