CID 215473

35727-99-2

Structural Information

Molecular Formula
C15H5Cl3N4
SMILES
C1=CC(=CC(=C1)Cl)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N
InChI
InChI=1S/C15H5Cl3N4/c16-8-2-1-3-9(4-8)22-15-11(6-20)13(17)10(5-19)14(18)12(15)7-21/h1-4,22H
InChIKey
UEEQECXNYDDYIS-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(3-chloroanilino)benzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.95798 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.96526 198.4
[M+Na]+ 368.94720 204.5
[M+NH4]+ 363.99180 197.6
[M+K]+ 384.92114 195.2
[M-H]- 344.95070 191.1
[M+Na-2H]- 366.93265 196.2
[M]+ 345.95743 196.6
[M]- 345.95853 196.6
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

No patent data available for this compound.