CID 77971

4-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine

Structural Information

Molecular Formula
C13H9N3S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=NC=C3
InChI
InChI=1S/C13H9N3S/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h1-9H
InChIKey
RKUOWPNMWKCGSW-UHFFFAOYSA-N
Compound name
2-phenyl-5-pyridin-4-yl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05171 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05899 149.9
[M+Na]+ 262.04093 160.6
[M-H]- 238.04443 156.6
[M+NH4]+ 257.08553 165.8
[M+K]+ 278.01487 155.0
[M+H-H2O]+ 222.04897 141.0
[M+HCOO]- 284.04991 168.3
[M+CH3COO]- 298.06556 162.8
[M+Na-2H]- 260.02638 154.2
[M]+ 239.05116 151.2
[M]- 239.05226 151.2
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.