CID 11816356

Difluoromethanesulfonylbenzene

Structural Information

Molecular Formula

C₇H₆F₂O₂S

SMILES

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

InChI

InChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H

InChIKey

LRHDNAVPELLXDL-UHFFFAOYSA-N

Compound name

difluoromethylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 524
Patents: 192.00566 Da
Monoisotopic Mass: 2.1
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]+	193.01294	132.2
[M+Na]+	214.99488	141.2
[M-H]-	190.99838	133.8
[M+NH4]+	210.03948	152.1
[M+K]+	230.96882	138.6
[M+H-H2O]+	175.00292	125.3
[M+HCOO]-	237.00386	148.3
[M+CH3COO]-	251.01951	178.1
[M+Na-2H]-	212.98033	136.5
[M]+	192.00511	131.7
[M]-	192.00621	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe