CID 20773449

4-propylbenzenesulfonyl fluoride

Structural Information

Molecular Formula

C₉H₁₁FO₂S

SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)F

InChI

InChI=1S/C9H11FO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3

InChIKey

QUANWRLXHIFDCR-UHFFFAOYSA-N

Compound name

4-propylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 202.04637 Da
Monoisotopic Mass: 2.9
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]+	203.05365	142.9
[M+Na]+	225.03559	154.3
[M+NH4]+	220.08019	150.6
[M+K]+	241.00953	146.4
[M-H]-	201.03909	142.8
[M+Na-2H]-	223.02104	148.3
[M]+	202.04582	144.9
[M]-	202.04692	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe