CID 63384141

2-iodo-5-phenyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H5IN2S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)I
InChI
InChI=1S/C8H5IN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H
InChIKey
IFVKWGPPUVZVRY-UHFFFAOYSA-N
Compound name
2-iodo-5-phenyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.9218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.92908 143.4
[M+Na]+ 310.91102 149.9
[M+NH4]+ 305.95562 148.7
[M+K]+ 326.88496 145.8
[M-H]- 286.91452 140.9
[M+Na-2H]- 308.89647 139.6
[M]+ 287.92125 143.1
[M]- 287.92235 143.1
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