CID 43166779

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

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CC1=NC(=NN1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClN3/c1-7-12-10(14-13-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13,14)
InChIKey
QEXAATUILWZHEJ-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]-5-methyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05632 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 143.3
[M+Na]+ 230.04554 158.4
[M+NH4]+ 225.09014 151.7
[M+K]+ 246.01948 152.5
[M-H]- 206.04904 145.6
[M+Na-2H]- 228.03099 151.8
[M]+ 207.05577 146.4
[M]- 207.05687 146.4
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

No patent data available for this compound.