CID 28940039

Methyl 2-(4-fluorobenzenesulfonyl)acetate

Structural Information

Molecular Formula
C9H9FO4S
SMILES
COC(=O)CS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H9FO4S/c1-14-9(11)6-15(12,13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKey
NZPFNHPRTONUNV-UHFFFAOYSA-N
Compound name
methyl 2-(4-fluorophenyl)sulfonylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

232.02055 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02783 148.5
[M+Na]+ 255.00977 158.6
[M+NH4]+ 250.05437 154.7
[M+K]+ 270.98371 152.6
[M-H]- 231.01327 146.9
[M+Na-2H]- 252.99522 152.6
[M]+ 232.02000 149.7
[M]- 232.02110 149.7
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