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]+ 243.907376 131.1
[M+Na]+ 265.889318 146.2
[M-H]- 241.892824 136.9
[M+NH4]+ 260.933923 152.5
[M+K]+ 281.863258 136.7
[M+H-H2O]+ 225.897360 131.6
[M+HCOO]- 287.898301 147.4
[M+CH3COO]- 301.913951 182.0
[M+Na-2H]- 263.874766 138.3
[M]+ 242.89955142 153.3
[M]- 242.90064858 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.