CID 3247664

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

Structural Information

Molecular Formula
C9H7BrN2OS
SMILES
CSC1=NN=C(O1)C2=CC=CC=C2Br
InChI
InChI=1S/C9H7BrN2OS/c1-14-9-12-11-8(13-9)6-4-2-3-5-7(6)10/h2-5H,1H3
InChIKey
AQNJWAMFGRAQRD-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.94626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95354 140.1
[M+Na]+ 292.93548 155.0
[M-H]- 268.93898 148.9
[M+NH4]+ 287.98008 159.7
[M+K]+ 308.90942 144.7
[M+H-H2O]+ 252.94352 140.3
[M+HCOO]- 314.94446 157.2
[M+CH3COO]- 328.96011 156.4
[M+Na-2H]- 290.92093 146.1
[M]+ 269.94571 163.1
[M]- 269.94681 163.1
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

No patent data available for this compound.