CID 14897546

775-27-9

Structural Information

Molecular Formula
C7H7FO4S
SMILES
COC1=CC=C(C=C1)OS(=O)(=O)F
InChI
InChI=1S/C7H7FO4S/c1-11-6-2-4-7(5-3-6)12-13(8,9)10/h2-5H,1H3
InChIKey
KRFXUAVCNYFMJE-UHFFFAOYSA-N
Compound name
1-fluorosulfonyloxy-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

206.00491 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.01219 136.2
[M+Na]+ 228.99413 146.0
[M-H]- 204.99763 139.4
[M+NH4]+ 224.03873 155.7
[M+K]+ 244.96807 144.4
[M+H-H2O]+ 189.00217 129.9
[M+HCOO]- 251.00311 154.8
[M+CH3COO]- 265.01876 179.8
[M+Na-2H]- 226.97958 141.7
[M]+ 206.00436 140.6
[M]- 206.00546 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe