CID 84700842

2-fluoro-6-methoxy-4-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClFO3S
SMILES
CC1=CC(=C(C(=C1)F)S(=O)(=O)Cl)OC
InChI
InChI=1S/C8H8ClFO3S/c1-5-3-6(10)8(14(9,11)12)7(4-5)13-2/h3-4H,1-2H3
InChIKey
SNGKHHHTHDLWIK-UHFFFAOYSA-N
Compound name
2-fluoro-6-methoxy-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98666 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.993936 140.7
[M+Na]+ 260.975878 152.6
[M-H]- 236.979384 144.5
[M+NH4]+ 256.020483 160.5
[M+K]+ 276.949818 148.5
[M+H-H2O]+ 220.983920 135.9
[M+HCOO]- 282.984861 154.2
[M+CH3COO]- 297.000511 186.9
[M+Na-2H]- 258.961326 144.1
[M]+ 237.98611142 146.7
[M]- 237.98720858 146.7
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.