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 147.8
[M+Na]+ 253.06690 154.7
[M-H]- 229.07040 150.1
[M+NH4]+ 248.11150 166.1
[M+K]+ 269.04084 152.1
[M+H-H2O]+ 213.07494 141.2
[M+HCOO]- 275.07588 162.6
[M+CH3COO]- 289.09153 188.2
[M+Na-2H]- 251.05235 149.5
[M]+ 230.07713 149.2
[M]- 230.07823 149.2
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.