CID 58957163

(5-phenyl-1,3,4-oxadiazol-2-yl)methanethiol

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)CS
InChI
InChI=1S/C9H8N2OS/c13-6-8-10-11-9(12-8)7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKey
ABLKJQSRTZOZJH-UHFFFAOYSA-N
Compound name
(5-phenyl-1,3,4-oxadiazol-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.03574 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 138.1
[M+Na]+ 215.02496 152.5
[M+NH4]+ 210.06956 147.3
[M+K]+ 230.99890 145.6
[M-H]- 191.02846 142.9
[M+Na-2H]- 213.01041 146.1
[M]+ 192.03519 142.1
[M]- 192.03629 142.1
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