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 181.3
[M+Na]+ 349.99706 190.7
[M-H]- 326.00056 185.1
[M+NH4]+ 345.04166 187.3
[M+K]+ 365.97100 184.9
[M+H-H2O]+ 310.00510 169.3
[M+HCOO]- 372.00604 184.0
[M+CH3COO]- 386.02169 183.8
[M+Na-2H]- 347.98251 178.4
[M]+ 327.00729 174.2
[M]- 327.00839 174.2
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

patents stripe