CID 121514199

Methyl 2-fluoro-4-(fluorosulfonyl)benzoate

Structural Information

Molecular Formula
C8H6F2O4S
SMILES
COC(=O)C1=C(C=C(C=C1)S(=O)(=O)F)F
InChI
InChI=1S/C8H6F2O4S/c1-14-8(11)6-3-2-5(4-7(6)9)15(10,12)13/h2-4H,1H3
InChIKey
MVZNEFRVGUWAFO-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-4-fluorosulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.99548 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00276 149.5
[M+Na]+ 258.98470 158.9
[M+NH4]+ 254.02930 154.7
[M+K]+ 274.95864 153.3
[M-H]- 234.98820 146.3
[M+Na-2H]- 256.97015 152.5
[M]+ 235.99493 150.0
[M]- 235.99603 150.0
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.