CID 165622309

2-phenylpropane-2-sulfonyl fluoride

Structural Information

Molecular Formula
C9H11FO2S
SMILES
CC(C)(C1=CC=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C9H11FO2S/c1-9(2,13(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
HAFWZALHNIVQRB-UHFFFAOYSA-N
Compound name
2-phenylpropane-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04637 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.053646 139.4
[M+Na]+ 225.035588 148.2
[M-H]- 201.039094 142.3
[M+NH4]+ 220.080193 159.1
[M+K]+ 241.009528 145.5
[M+H-H2O]+ 185.043630 133.5
[M+HCOO]- 247.044571 155.4
[M+CH3COO]- 261.060221 181.0
[M+Na-2H]- 223.021036 145.1
[M]+ 202.04582142 140.8
[M]- 202.04691858 140.8
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.