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]+ 203.05365 139.4
[M+Na]+ 225.03559 148.2
[M-H]- 201.03909 142.3
[M+NH4]+ 220.08019 159.1
[M+K]+ 241.00953 145.5
[M+H-H2O]+ 185.04363 133.5
[M+HCOO]- 247.04457 155.4
[M+CH3COO]- 261.06022 181.0
[M+Na-2H]- 223.02104 145.1
[M]+ 202.04582 140.8
[M]- 202.04692 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.