CID 82285337

1368844-00-1

Structural Information

Molecular Formula
C8H7FO4S
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)(=O)F
InChI
InChI=1S/C8H7FO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey
CZDKQRQGVWYYKX-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.00491 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01219 141.9
[M+Na]+ 240.99413 153.4
[M+NH4]+ 236.03873 149.6
[M+K]+ 256.96807 147.3
[M-H]- 216.99763 144.2
[M+Na-2H]- 238.97958 145.7
[M]+ 218.00436 144.6
[M]- 218.00546 144.6
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