CID 115023297

(2-methoxyphenyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C8H9FO3S
SMILES
COC1=CC=CC=C1CS(=O)(=O)F
InChI
InChI=1S/C8H9FO3S/c1-12-8-5-3-2-4-7(8)6-13(9,10)11/h2-5H,6H2,1H3
InChIKey
VKDLIAYZYMQNKG-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02565 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.032926 137.4
[M+Na]+ 227.014868 147.0
[M-H]- 203.018374 140.5
[M+NH4]+ 222.059473 157.2
[M+K]+ 242.988808 144.6
[M+H-H2O]+ 187.022910 131.2
[M+HCOO]- 249.023851 155.5
[M+CH3COO]- 263.039501 180.7
[M+Na-2H]- 225.000316 142.3
[M]+ 204.02510142 140.8
[M]- 204.02619858 140.8
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.