CID 83541916

(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H8ClFO3S
SMILES
COC1=C(C=C(C=C1)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H8ClFO3S/c1-13-8-3-2-7(10)4-6(8)5-14(9,11)12/h2-4H,5H2,1H3
InChIKey
PNKBVDGJHIQZCQ-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methoxyphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98666 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99394 146.4
[M+Na]+ 260.97588 158.6
[M+NH4]+ 256.02048 153.9
[M+K]+ 276.94982 150.9
[M-H]- 236.97938 145.8
[M+Na-2H]- 258.96133 151.5
[M]+ 237.98611 148.6
[M]- 237.98721 148.6
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.