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 137.0
[M+Na]+ 240.99413 146.3
[M-H]- 216.99763 142.0
[M+NH4]+ 236.03873 154.5
[M+K]+ 256.96807 146.4
[M+H-H2O]+ 201.00217 131.2
[M+HCOO]- 263.00311 151.1
[M+CH3COO]- 277.01876 181.4
[M+Na-2H]- 238.97958 145.7
[M]+ 218.00436 139.2
[M]- 218.00546 139.2
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