CID 137949458

2172125-99-2

Structural Information

Molecular Formula
C11H15FO2S
SMILES
CC(C)CC(C1=CC=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C11H15FO2S/c1-9(2)8-11(15(12,13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
XTRRRYMJWMKVKD-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylbutane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07768 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08496 150.9
[M+Na]+ 253.06690 160.9
[M+NH4]+ 248.11150 158.1
[M+K]+ 269.04084 154.0
[M-H]- 229.07040 150.3
[M+Na-2H]- 251.05235 155.5
[M]+ 230.07713 152.5
[M]- 230.07823 152.5
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.