CID 199025

1,3,5-benzenetricarbonitrile, 2,4,6-trichloro-

Structural Information

Molecular Formula
C9Cl3N3
SMILES
C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)C#N)Cl
InChI
InChI=1S/C9Cl3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14
InChIKey
LBLQEGBXQYLSEP-UHFFFAOYSA-N
Compound name
2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

254.91579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.92307 161.2
[M+Na]+ 277.90501 171.7
[M-H]- 253.90851 165.2
[M+NH4]+ 272.94961 169.2
[M+K]+ 293.87895 166.8
[M+H-H2O]+ 237.91305 151.0
[M+HCOO]- 299.91399 162.5
[M+CH3COO]- 313.92964 237.8
[M+Na-2H]- 275.89046 160.1
[M]+ 254.91524 155.7
[M]- 254.91634 155.7
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