CID 137951411

(3-bromo-1,2-oxazol-5-yl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C4H3BrFNO3S
SMILES
C1=C(ON=C1Br)CS(=O)(=O)F
InChI
InChI=1S/C4H3BrFNO3S/c5-4-1-3(10-7-4)2-11(6,8)9/h1H,2H2
InChIKey
XJFWKJWFKCXTAT-UHFFFAOYSA-N
Compound name
(3-bromo-1,2-oxazol-5-yl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.9001 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.90738 131.1
[M+Na]+ 265.88932 146.2
[M-H]- 241.89282 136.9
[M+NH4]+ 260.93392 152.5
[M+K]+ 281.86326 136.7
[M+H-H2O]+ 225.89736 131.6
[M+HCOO]- 287.89830 147.4
[M+CH3COO]- 301.91395 182.0
[M+Na-2H]- 263.87477 138.3
[M]+ 242.89955 153.3
[M]- 242.90065 153.3
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.