CID 138991333

2309469-10-9

Structural Information

Molecular Formula
C6H6FNO5S
SMILES
COC(=O)C1=NOC(=C1)CS(=O)(=O)F
InChI
InChI=1S/C6H6FNO5S/c1-12-6(9)5-2-4(13-8-5)3-14(7,10)11/h2H,3H2,1H3
InChIKey
LMSHRTOFGBTSIO-UHFFFAOYSA-N
Compound name
methyl 5-(fluorosulfonylmethyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.99507 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00235 139.9
[M+Na]+ 245.98429 150.2
[M-H]- 221.98779 142.6
[M+NH4]+ 241.02889 157.9
[M+K]+ 261.95823 150.3
[M+H-H2O]+ 205.99233 133.9
[M+HCOO]- 267.99327 157.0
[M+CH3COO]- 282.00892 180.9
[M+Na-2H]- 243.96974 143.6
[M]+ 222.99452 145.8
[M]- 222.99562 145.8
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.