CID 64157109

2-(4-iodophenoxy)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H5IN2OS
SMILES
C1=CC(=CC=C1OC2=NN=CS2)I
InChI
InChI=1S/C8H5IN2OS/c9-6-1-3-7(4-2-6)12-8-11-10-5-13-8/h1-5H
InChIKey
MYJAATNHHVRTBJ-UHFFFAOYSA-N
Compound name
2-(4-iodophenoxy)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.91672 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.92400 143.2
[M+Na]+ 326.90594 146.7
[M-H]- 302.90944 141.1
[M+NH4]+ 321.95054 157.5
[M+K]+ 342.87988 149.5
[M+H-H2O]+ 286.91398 132.5
[M+HCOO]- 348.91492 158.1
[M+CH3COO]- 362.93057 152.9
[M+Na-2H]- 324.89139 135.8
[M]+ 303.91617 143.6
[M]- 303.91727 143.6
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.