CID 83647486

1533915-56-8

Structural Information

Molecular Formula
C9H10ClFO2S
SMILES
CC(CS(=O)(=O)Cl)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H10ClFO2S/c1-7(6-14(10,12)13)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKey
FKCKFDJGNQUHHT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.0074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01468 143.1
[M+Na]+ 258.99662 152.7
[M-H]- 235.00012 146.1
[M+NH4]+ 254.04122 162.5
[M+K]+ 274.97056 148.3
[M+H-H2O]+ 219.00466 137.9
[M+HCOO]- 281.00560 155.1
[M+CH3COO]- 295.02125 186.3
[M+Na-2H]- 256.98207 146.0
[M]+ 236.00685 146.8
[M]- 236.00795 146.8
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.