CID 28383504

3-chloro-4-methyl-5-phenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C9H8ClN3
SMILES
CN1C(=NN=C1Cl)C2=CC=CC=C2
InChI
InChI=1S/C9H8ClN3/c1-13-8(11-12-9(13)10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
GGJVSXOUFLUSKM-UHFFFAOYSA-N
Compound name
3-chloro-4-methyl-5-phenyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 138.2
[M+Na]+ 216.02990 154.0
[M+NH4]+ 211.07450 147.1
[M+K]+ 232.00384 148.0
[M-H]- 192.03340 141.0
[M+Na-2H]- 214.01535 147.6
[M]+ 193.04013 141.6
[M]- 193.04123 141.6
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.