CID 165470089

1-(5-iodo-2-methylphenyl)-1h-1,2,3-triazole

Structural Information

Molecular Formula
C9H8IN3
SMILES
CC1=C(C=C(C=C1)I)N2C=CN=N2
InChI
InChI=1S/C9H8IN3/c1-7-2-3-8(10)6-9(7)13-5-4-11-12-13/h2-6H,1H3
InChIKey
HFBSHQLLFOETBL-UHFFFAOYSA-N
Compound name
1-(5-iodo-2-methylphenyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.9763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.98358 144.1
[M+Na]+ 307.96552 150.9
[M+NH4]+ 303.01012 148.1
[M+K]+ 323.93946 149.1
[M-H]- 283.96902 140.5
[M+Na-2H]- 305.95097 140.3
[M]+ 284.97575 143.0
[M]- 284.97685 143.0
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.