CID 82284884

4-tert-butylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₁₀H₁₃FO₂S

SMILES

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

InChI

InChI=1S/C10H13FO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3

InChIKey

YMGHXAOUCWPSDV-UHFFFAOYSA-N

Compound name

4-tert-butylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 216.06203 Da
Monoisotopic Mass: 4.0
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]+	217.069306	143.1
[M+Na]+	239.051248	152.4
[M-H]-	215.054754	146.2
[M+NH4]+	234.095853	162.6
[M+K]+	255.025188	149.5
[M+H-H2O]+	199.059290	137.3
[M+HCOO]-	261.060231	158.7
[M+CH3COO]-	275.075881	184.5
[M+Na-2H]-	237.036696	147.8
[M]+	216.06148142	145.2
[M]-	216.06257858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe