CID 215477

35728-03-1

Structural Information

Molecular Formula
C15H4Cl4N4
SMILES
C1=CC(=C(C=C1NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)Cl)Cl
InChI
InChI=1S/C15H4Cl4N4/c16-11-2-1-7(3-12(11)17)23-15-9(5-21)13(18)8(4-20)14(19)10(15)6-22/h1-3,23H
InChIKey
SAFCEOPCBZQJEY-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(3,4-dichloroanilino)benzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.919 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.92628 176.4
[M+Na]+ 402.90822 186.7
[M-H]- 378.91172 179.7
[M+NH4]+ 397.95282 182.2
[M+K]+ 418.88216 180.3
[M+H-H2O]+ 362.91626 166.2
[M+HCOO]- 424.91720 175.6
[M+CH3COO]- 438.93285 179.0
[M+Na-2H]- 400.89367 173.6
[M]+ 379.91845 170.7
[M]- 379.91955 170.7
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