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

7
Patents

270.96063 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.96791 133.6
[M+Na]+ 293.94985 136.4
[M-H]- 269.95335 129.5
[M+NH4]+ 288.99445 147.0
[M+K]+ 309.92379 139.3
[M+H-H2O]+ 253.95789 121.6
[M+HCOO]- 315.95883 151.6
[M+CH3COO]- 329.97448 143.2
[M+Na-2H]- 291.93530 129.7
[M]+ 270.96008 130.9
[M]- 270.96118 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