CID 12114475

315495-38-6

Structural Information

Molecular Formula

C₈H₆ClFO₂S

SMILES

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

InChI

InChI=1S/C8H6ClFO2S/c9-13(11,12)6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+

InChIKey

WEYVXKRBZKSRRM-AATRIKPKSA-N

Compound name

(E)-2-(4-fluorophenyl)ethenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 219.9761 Da
Monoisotopic Mass: 2.5
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]+	220.983376	138.5
[M+Na]+	242.965318	149.3
[M-H]-	218.968824	141.7
[M+NH4]+	238.009923	158.6
[M+K]+	258.939258	144.0
[M+H-H2O]+	202.973360	133.6
[M+HCOO]-	264.974301	152.0
[M+CH3COO]-	278.989951	180.9
[M+Na-2H]-	240.950766	142.9
[M]+	219.97555142	141.6
[M]-	219.97664858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe