CID 146049065

2411223-87-3

Structural Information

Molecular Formula
C8H6F4O4S
SMILES
COC1=CC(=C(C=C1)OS(=O)(=O)F)C(F)(F)F
InChI
InChI=1S/C8H6F4O4S/c1-15-5-2-3-7(16-17(12,13)14)6(4-5)8(9,10)11/h2-4H,1H3
InChIKey
BOMOHRAOEUDMEG-UHFFFAOYSA-N
Compound name
1-fluorosulfonyloxy-4-methoxy-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.99228 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99956 147.9
[M+Na]+ 296.98150 158.5
[M-H]- 272.98500 147.2
[M+NH4]+ 292.02610 164.7
[M+K]+ 312.95544 155.8
[M+H-H2O]+ 256.98954 139.1
[M+HCOO]- 318.99048 161.4
[M+CH3COO]- 333.00613 192.1
[M+Na-2H]- 294.96695 151.7
[M]+ 273.99173 148.8
[M]- 273.99283 148.8
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.