CID 45791944

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

Structural Information

Molecular Formula
C7H4BrClN2OS
SMILES
C1=C(SC=C1Br)C2=NOC(=N2)CCl
InChI
InChI=1S/C7H4BrClN2OS/c8-4-1-5(13-3-4)7-10-6(2-9)12-11-7/h1,3H,2H2
InChIKey
DLOQLOKVVHKINF-UHFFFAOYSA-N
Compound name
3-(4-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

2.6
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.

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No literature data available for this compound.

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No patent data available for this compound.