CID 113469

Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-4-methoxy-

Structural Information

Molecular Formula
C7H6ClFO5S2
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClFO5S2/c1-14-6-3-2-5(16(9,12)13)4-7(6)15(8,10)11/h2-4H,1H3
InChIKey
ZMIGAMONBOGODS-UHFFFAOYSA-N
Compound name
3-chlorosulfonyl-4-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.93292 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.94020 159.9
[M+Na]+ 310.92214 169.9
[M+NH4]+ 305.96674 165.6
[M+K]+ 326.89608 162.6
[M-H]- 286.92564 157.3
[M+Na-2H]- 308.90759 162.7
[M]+ 287.93237 161.6
[M]- 287.93347 161.6
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