CID 15080

2,5-diphenyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C14H10N2S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKey
LKZWCRGTHNZTQN-UHFFFAOYSA-N
Compound name
2,5-diphenyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

116
Patents

238.05647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06375 150.3
[M+Na]+ 261.04569 160.5
[M-H]- 237.04919 158.3
[M+NH4]+ 256.09029 167.6
[M+K]+ 277.01963 155.0
[M+H-H2O]+ 221.05373 142.0
[M+HCOO]- 283.05467 169.7
[M+CH3COO]- 297.07032 163.5
[M+Na-2H]- 259.03114 154.2
[M]+ 238.05592 151.5
[M]- 238.05702 151.5
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