CID 43166841

5-(3,4-dichlorophenyl)-3-methyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C9H7Cl2N3
SMILES
CC1=NC(=NN1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H7Cl2N3/c1-5-12-9(14-13-5)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H,12,13,14)
InChIKey
ZHVSVBLFNHSAST-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-methyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.00171 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00899 145.0
[M+Na]+ 249.99093 161.1
[M+NH4]+ 245.03553 153.5
[M+K]+ 265.96487 154.8
[M-H]- 225.99443 147.2
[M+Na-2H]- 247.97638 153.3
[M]+ 227.00116 148.5
[M]- 227.00226 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe