CID 270010

4-phenyl-1,2,3-thiadiazole

Structural Information

Molecular Formula
C8H6N2S
SMILES
C1=CC=C(C=C1)C2=CSN=N2
InChI
InChI=1S/C8H6N2S/c1-2-4-7(5-3-1)8-6-11-10-9-8/h1-6H
InChIKey
AWPNFXRMNNPKDW-UHFFFAOYSA-N
Compound name
4-phenylthiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

775
Patents

162.02516 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03244 130.3
[M+Na]+ 185.01438 144.6
[M+NH4]+ 180.05898 140.4
[M+K]+ 200.98832 137.0
[M-H]- 161.01788 134.3
[M+Na-2H]- 182.99983 139.9
[M]+ 162.02461 134.1
[M]- 162.02571 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe