CID 6858417

35546-47-5

Structural Information

Molecular Formula
C9H6Cl2N4
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=N/N2C=NN=C2
InChI
InChI=1S/C9H6Cl2N4/c10-8-2-1-7(9(11)3-8)4-14-15-5-12-13-6-15/h1-6H/b14-4+
InChIKey
SKYRYHLHZWZTFM-LNKIKWGQSA-N
Compound name
(E)-1-(2,4-dichlorophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.99695 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00423 148.7
[M+Na]+ 262.98617 159.9
[M-H]- 238.98967 152.1
[M+NH4]+ 258.03077 165.5
[M+K]+ 278.96011 154.2
[M+H-H2O]+ 222.99421 139.6
[M+HCOO]- 284.99515 163.8
[M+CH3COO]- 299.01080 161.3
[M+Na-2H]- 260.97162 154.4
[M]+ 239.99640 151.9
[M]- 239.99750 151.9
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.