CID 131222362

1936720-48-7

Structural Information

Molecular Formula

C₃H₃F₃O₂S

SMILES

C1C(C1(F)F)S(=O)(=O)F

InChI

InChI=1S/C3H3F3O2S/c4-3(5)1-2(3)9(6,7)8/h2H,1H2

InChIKey

JRHJBGGLTJINDA-UHFFFAOYSA-N

Compound name

2,2-difluorocyclopropane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.98059 Da
Monoisotopic Mass: 1.0
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]+	160.98787	116.9
[M+Na]+	182.96981	128.7
[M-H]-	158.97331	118.6
[M+NH4]+	178.01441	135.1
[M+K]+	198.94375	126.8
[M+H-H2O]+	142.97785	110.4
[M+HCOO]-	204.97879	132.3
[M+CH3COO]-	218.99444	175.7
[M+Na-2H]-	180.95526	122.5
[M]+	159.98004	118.5
[M]-	159.98114	118.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.