CID 18462318

2,3,4,6-tetrachloro-5-cyanobenzamide

Structural Information

Molecular Formula
C8H2Cl4N2O
SMILES
C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C(=O)N)Cl
InChI
InChI=1S/C8H2Cl4N2O/c9-4-2(1-13)5(10)7(12)6(11)3(4)8(14)15/h(H2,14,15)
InChIKey
XTFCOCGBWMNRKW-UHFFFAOYSA-N
Compound name
2,3,4,6-tetrachloro-5-cyanobenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

22
Patents

281.89212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.89940 156.6
[M+Na]+ 304.88134 170.2
[M-H]- 280.88484 157.6
[M+NH4]+ 299.92594 172.0
[M+K]+ 320.85528 163.3
[M+H-H2O]+ 264.88938 149.2
[M+HCOO]- 326.89032 159.1
[M+CH3COO]- 340.90597 210.8
[M+Na-2H]- 302.86679 156.0
[M]+ 281.89157 153.7
[M]- 281.89267 153.7
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.