CID 215474

35728-00-8

Structural Information

Molecular Formula
C15H5Cl3N4
SMILES
C1=CC(=CC=C1NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)Cl
InChI
InChI=1S/C15H5Cl3N4/c16-8-1-3-9(4-2-8)22-15-11(6-20)13(17)10(5-19)14(18)12(15)7-21/h1-4,22H
InChIKey
UIHIWOYUDREUCS-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(4-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 176.9
[M+Na]+ 368.94720 187.2
[M-H]- 344.95070 180.7
[M+NH4]+ 363.99180 183.1
[M+K]+ 384.92114 180.6
[M+H-H2O]+ 328.95524 165.7
[M+HCOO]- 390.95618 177.9
[M+CH3COO]- 404.97183 179.8
[M+Na-2H]- 366.93265 174.6
[M]+ 345.95743 171.0
[M]- 345.95853 171.0
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