CID 137949456

2172429-60-4

Structural Information

Molecular Formula
C10H13FO2S
SMILES
CC(C)C(C1=CC=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C10H13FO2S/c1-8(2)10(14(11,12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
QGIFFFLHGPHENI-UHFFFAOYSA-N
Compound name
2-methyl-1-phenylpropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06203 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06931 143.2
[M+Na]+ 239.05125 150.6
[M-H]- 215.05475 145.7
[M+NH4]+ 234.09585 162.1
[M+K]+ 255.02519 148.2
[M+H-H2O]+ 199.05929 136.8
[M+HCOO]- 261.06023 158.3
[M+CH3COO]- 275.07588 185.2
[M+Na-2H]- 237.03670 145.4
[M]+ 216.06148 144.3
[M]- 216.06258 144.3
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.