CID 13507838

101803-62-7

Structural Information

Molecular Formula

C₁₅H₂₃FO₂S

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)F)C(C)C

InChI

InChI=1S/C15H23FO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3

InChIKey

RTYWQCWRMCSZMD-UHFFFAOYSA-N

Compound name

2,4,6-tri(propan-2-yl)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 286.1403 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.14758	161.0
[M+Na]+	309.12952	168.5
[M-H]-	285.13302	163.8
[M+NH4]+	304.17412	177.9
[M+K]+	325.10346	165.7
[M+H-H2O]+	269.13756	154.6
[M+HCOO]-	331.13850	173.4
[M+CH3COO]-	345.15415	204.7
[M+Na-2H]-	307.11497	158.2
[M]+	286.13975	164.6
[M]-	286.14085	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe