CID 215469

35727-90-3

Structural Information

Molecular Formula
C16H7Cl3N4
SMILES
CC1=C(C=CC=C1Cl)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N
InChI
InChI=1S/C16H7Cl3N4/c1-8-12(17)3-2-4-13(8)23-16-10(6-21)14(18)9(5-20)15(19)11(16)7-22/h2-4,23H,1H3
InChIKey
LIEQSVXPMNTMOA-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(3-chloro-2-methylanilino)benzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.97363 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.98091 198.6
[M+Na]+ 382.96285 204.7
[M+NH4]+ 378.00745 197.7
[M+K]+ 398.93679 195.5
[M-H]- 358.96635 191.3
[M+Na-2H]- 380.94830 196.3
[M]+ 359.97308 196.8
[M]- 359.97418 196.8
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.