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]+ 217.069306 143.2
[M+Na]+ 239.051248 150.6
[M-H]- 215.054754 145.7
[M+NH4]+ 234.095853 162.1
[M+K]+ 255.025188 148.2
[M+H-H2O]+ 199.059290 136.8
[M+HCOO]- 261.060231 158.3
[M+CH3COO]- 275.075881 185.2
[M+Na-2H]- 237.036696 145.4
[M]+ 216.06148142 144.3
[M]- 216.06257858 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.