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]+ 282.899396 156.6
[M+Na]+ 304.881338 170.2
[M-H]- 280.884844 157.6
[M+NH4]+ 299.925943 172.0
[M+K]+ 320.855278 163.3
[M+H-H2O]+ 264.889380 149.2
[M+HCOO]- 326.890321 159.1
[M+CH3COO]- 340.905971 210.8
[M+Na-2H]- 302.866786 156.0
[M]+ 281.89157142 153.7
[M]- 281.89266858 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

literature stripe

Patent stripe

patents stripe