CID 67259872

1-(2-iodophenyl)-1h-1,2,3-triazole hydrochloride

Structural Information

Molecular Formula
C8H6IN3
SMILES
C1=CC=C(C(=C1)N2C=CN=N2)I
InChI
InChI=1S/C8H6IN3/c9-7-3-1-2-4-8(7)12-6-5-10-11-12/h1-6H
InChIKey
SRWMIWATNBUKSO-UHFFFAOYSA-N
Compound name
1-(2-iodophenyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

270.96063 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.967906 133.6
[M+Na]+ 293.949848 136.4
[M-H]- 269.953354 129.5
[M+NH4]+ 288.994453 147.0
[M+K]+ 309.923788 139.3
[M+H-H2O]+ 253.957890 121.6
[M+HCOO]- 315.958831 151.6
[M+CH3COO]- 329.974481 143.2
[M+Na-2H]- 291.935296 129.7
[M]+ 270.96008142 130.9
[M]- 270.96117858 130.9
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

patents stripe