CID 215465

Brn 2782024

Structural Information

Molecular Formula
C17H10Cl2N4
SMILES
CC1=CC(=C(C=C1)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)C
InChI
InChI=1S/C17H10Cl2N4/c1-9-3-4-14(10(2)5-9)23-17-12(7-21)15(18)11(6-20)16(19)13(17)8-22/h3-5,23H,1-2H3
InChIKey
FGTGXIRVSXMELR-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(2,4-dimethylanilino)benzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

340.02826 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03554 179.7
[M+Na]+ 363.01748 189.7
[M-H]- 339.02098 184.0
[M+NH4]+ 358.06208 186.0
[M+K]+ 378.99142 183.6
[M+H-H2O]+ 323.02552 167.8
[M+HCOO]- 385.02646 182.3
[M+CH3COO]- 399.04211 245.6
[M+Na-2H]- 361.00293 176.8
[M]+ 340.02771 173.7
[M]- 340.02881 173.7
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