CID 131394605

3-(chloromethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H6ClFO2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)CCl
InChI
InChI=1S/C7H6ClFO2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5H2
InChIKey
WELJIIHZMKQQSQ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.9761 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98338 138.8
[M+Na]+ 230.96532 151.3
[M+NH4]+ 226.00992 147.0
[M+K]+ 246.93926 143.2
[M-H]- 206.96882 138.7
[M+Na-2H]- 228.95077 144.8
[M]+ 207.97555 141.3
[M]- 207.97665 141.3
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.