CID 601577

4-(4-chlorophenyl)-1h-1,2,3-triazole

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CC(=CC=C1C2=NNN=C2)Cl
InChI
InChI=1S/C8H6ClN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
InChIKey
CGWXLIIVSXHAOP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

50
Patents

179.02502 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 134.2
[M+Na]+ 202.01424 149.3
[M+NH4]+ 197.05884 142.9
[M+K]+ 217.98818 143.7
[M-H]- 178.01774 136.5
[M+Na-2H]- 199.99969 143.5
[M]+ 179.02447 137.3
[M]- 179.02557 137.3
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