CID 215467

4,6-dichloro-2-(o-hydroxyanilino)trimesonitrile

Structural Information

Molecular Formula
C15H6Cl2N4O
SMILES
C1=CC=C(C(=C1)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)O
InChI
InChI=1S/C15H6Cl2N4O/c16-13-8(5-18)14(17)10(7-20)15(9(13)6-19)21-11-3-1-2-4-12(11)22/h1-4,21-22H
InChIKey
KFCLBFAIFGVARZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(2-hydroxyanilino)benzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.99185 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.99913 178.6
[M+Na]+ 350.98107 188.4
[M-H]- 326.98457 182.5
[M+NH4]+ 346.02567 184.7
[M+K]+ 366.95501 182.5
[M+H-H2O]+ 310.98911 166.9
[M+HCOO]- 372.99005 181.0
[M+CH3COO]- 387.00570 181.4
[M+Na-2H]- 348.96652 176.2
[M]+ 327.99130 172.1
[M]- 327.99240 172.1
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