CID 215470

35727-96-9

Structural Information

Molecular Formula
C15H5BrCl2N4
SMILES
C1=CC(=CC=C1NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)Br
InChI
InChI=1S/C15H5BrCl2N4/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
XFWOLTVOEYKXDX-UHFFFAOYSA-N
Compound name
2-(4-bromoanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.90747 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.91475 198.4
[M+Na]+ 412.89669 201.5
[M+NH4]+ 407.94129 196.8
[M+K]+ 428.87063 194.6
[M-H]- 388.90019 191.5
[M+Na-2H]- 410.88214 195.5
[M]+ 389.90692 195.9
[M]- 389.90802 195.9
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.