CID 2797173

3-(5-bromo-2-thienyl)isoxazole

Structural Information

Molecular Formula
C7H4BrNOS
SMILES
C1=CON=C1C2=CC=C(S2)Br
InChI
InChI=1S/C7H4BrNOS/c8-7-2-1-6(11-7)5-3-4-10-9-5/h1-4H
InChIKey
BAZHUUDTRPSRLD-UHFFFAOYSA-N
Compound name
3-(5-bromothiophen-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

228.9197 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.92698 134.5
[M+Na]+ 251.90892 138.7
[M+NH4]+ 246.95352 140.5
[M+K]+ 267.88286 140.1
[M-H]- 227.91242 137.4
[M+Na-2H]- 249.89437 139.0
[M]+ 228.91915 135.2
[M]- 228.92025 135.2
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

patents stripe