CID 15184248

3,4-dimethoxybenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8H9FO4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)F)OC
InChI
InChI=1S/C8H9FO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey
LCEVVNNKUAEPJM-UHFFFAOYSA-N
Compound name
3,4-dimethoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.02055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02783 145.1
[M+Na]+ 243.00977 156.1
[M+NH4]+ 238.05437 151.7
[M+K]+ 258.98371 149.7
[M-H]- 219.01327 144.0
[M+Na-2H]- 240.99522 149.6
[M]+ 220.02000 146.6
[M]- 220.02110 146.6
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

No patent data available for this compound.