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 174.1
[M+Na]+ 412.89669 185.5
[M-H]- 388.90019 177.4
[M+NH4]+ 407.94129 180.8
[M+K]+ 428.87063 175.5
[M+H-H2O]+ 372.90473 164.5
[M+HCOO]- 434.90567 179.4
[M+CH3COO]- 448.92132 177.7
[M+Na-2H]- 410.88214 172.7
[M]+ 389.90692 174.6
[M]- 389.90802 174.6
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

patents stripe