CID 215471

35727-97-0

Structural Information

Molecular Formula
C15H7Cl2N5
SMILES
C1=CC(=CC=C1N)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N
InChI
InChI=1S/C15H7Cl2N5/c16-13-10(5-18)14(17)12(7-20)15(11(13)6-19)22-9-3-1-8(21)2-4-9/h1-4,22H,21H2
InChIKey
FNCMMTVNCZUXKQ-UHFFFAOYSA-N
Compound name
2-(4-aminoanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.00784 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.01512 203.4
[M+Na]+ 349.99706 209.0
[M+NH4]+ 345.04166 202.2
[M+K]+ 365.97100 199.5
[M-H]- 326.00056 195.8
[M+Na-2H]- 347.98251 200.5
[M]+ 327.00729 201.2
[M]- 327.00839 201.2
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.