CID 774387

5-(2-bromophenyl)-1,3,4-oxadiazole-2-thiol

Structural Information

Molecular Formula
C8H5BrN2OS
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)O2)Br
InChI
InChI=1S/C8H5BrN2OS/c9-6-4-2-1-3-5(6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChIKey
UIURODGFCJJJFY-UHFFFAOYSA-N
Compound name
5-(2-bromophenyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

255.9306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.93788 135.8
[M+Na]+ 278.91982 151.0
[M-H]- 254.92332 143.5
[M+NH4]+ 273.96442 155.2
[M+K]+ 294.89376 139.3
[M+H-H2O]+ 238.92786 136.5
[M+HCOO]- 300.92880 152.0
[M+CH3COO]- 314.94445 151.9
[M+Na-2H]- 276.90527 141.9
[M]+ 255.93005 156.2
[M]- 255.93115 156.2
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