CID 54593422

3-(5-bromothiophen-2-yl)-5-(chloromethyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C7H4BrClN2OS
SMILES
C1=C(SC(=C1)Br)C2=NOC(=N2)CCl
InChI
InChI=1S/C7H4BrClN2OS/c8-5-2-1-4(13-5)7-10-6(3-9)12-11-7/h1-2H,3H2
InChIKey
IBDIFOBWJRFXFU-UHFFFAOYSA-N
Compound name
3-(5-bromothiophen-2-yl)-5-(chloromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.89163 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.89891 146.2
[M+Na]+ 300.88085 151.2
[M+NH4]+ 295.92545 151.7
[M+K]+ 316.85479 152.0
[M-H]- 276.88435 148.4
[M+Na-2H]- 298.86630 149.9
[M]+ 277.89108 147.1
[M]- 277.89218 147.1
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

No patent data available for this compound.