CID 325592

5-(2-bromophenyl)-1,3,4-oxathiazol-2-one

Structural Information

Molecular Formula
C8H4BrNO2S
SMILES
C1=CC=C(C(=C1)C2=NSC(=O)O2)Br
InChI
InChI=1S/C8H4BrNO2S/c9-6-4-2-1-3-5(6)7-10-13-8(11)12-7/h1-4H
InChIKey
QLELHHGCBCBFAF-UHFFFAOYSA-N
Compound name
5-(2-bromophenyl)-1,3,4-oxathiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9146 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.92188 135.6
[M+Na]+ 279.90382 151.0
[M-H]- 255.90732 145.9
[M+NH4]+ 274.94842 156.8
[M+K]+ 295.87776 140.9
[M+H-H2O]+ 239.91186 136.6
[M+HCOO]- 301.91280 154.6
[M+CH3COO]- 315.92845 152.8
[M+Na-2H]- 277.88927 142.3
[M]+ 256.91405 158.5
[M]- 256.91515 158.5
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.