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 140.9
[M+Na]+ 258.98470 151.2
[M-H]- 234.98820 142.9
[M+NH4]+ 254.02930 159.3
[M+K]+ 274.95864 148.8
[M+H-H2O]+ 218.99274 133.8
[M+HCOO]- 280.99368 157.2
[M+CH3COO]- 295.00933 186.0
[M+Na-2H]- 256.97015 143.8
[M]+ 235.99493 143.5
[M]- 235.99603 143.5
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.