CID 4962816

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

Structural Information

Molecular Formula
C7H4BrClN2OS
SMILES
C1=C(SC(=C1)Br)C2=NN=C(O2)CCl
InChI
InChI=1S/C7H4BrClN2OS/c8-5-2-1-4(13-5)7-11-10-6(3-9)12-7/h1-2H,3H2
InChIKey
KSHMYYGVWCHTTB-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)-5-(chloromethyl)-1,3,4-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 140.2
[M+Na]+ 300.88085 158.0
[M-H]- 276.88435 149.9
[M+NH4]+ 295.92545 162.3
[M+K]+ 316.85479 146.9
[M+H-H2O]+ 260.88889 141.6
[M+HCOO]- 322.88983 155.6
[M+CH3COO]- 336.90548 157.6
[M+Na-2H]- 298.86630 145.0
[M]+ 277.89108 166.1
[M]- 277.89218 166.1
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.