CID 83271718

4-fluoro-3-(methoxymethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClFO3S
SMILES
COCC1=C(C=CC(=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C8H8ClFO3S/c1-13-5-6-4-7(14(9,11)12)2-3-8(6)10/h2-4H,5H2,1H3
InChIKey
BEJIPMIEUJAPND-UHFFFAOYSA-N
Compound name
4-fluoro-3-(methoxymethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98666 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.993936 141.6
[M+Na]+ 260.975878 152.7
[M-H]- 236.979384 145.1
[M+NH4]+ 256.020483 161.2
[M+K]+ 276.949818 148.5
[M+H-H2O]+ 220.983920 136.6
[M+HCOO]- 282.984861 155.1
[M+CH3COO]- 297.000511 185.7
[M+Na-2H]- 258.961326 145.6
[M]+ 237.98611142 147.3
[M]- 237.98720858 147.3
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.