CID 99803496

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

Structural Information

Molecular Formula
C9H8ClN3
SMILES
CC1=NNN=C1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H8ClN3/c1-6-9(12-13-11-6)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13)
InChIKey
IIPOQCXWGRGHQM-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-methyl-2H-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 138.7
[M+Na]+ 216.02990 149.6
[M-H]- 192.03340 140.4
[M+NH4]+ 211.07450 156.2
[M+K]+ 232.00384 144.0
[M+H-H2O]+ 176.03794 130.6
[M+HCOO]- 238.03888 155.2
[M+CH3COO]- 252.05453 151.6
[M+Na-2H]- 214.01535 144.2
[M]+ 193.04013 139.0
[M]- 193.04123 139.0
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.