CID 97987441

1584701-12-1

Structural Information

Molecular Formula

C₈H₁₄F₂O₄S

SMILES

CC1(OCCO1)CCCC(F)(F)S(=O)O

InChI

InChI=1S/C8H14F2O4S/c1-7(13-5-6-14-7)3-2-4-8(9,10)15(11)12/h2-6H2,1H3,(H,11,12)

InChIKey

VAMAXKMJDCYYTB-UHFFFAOYSA-N

Compound name

1,1-difluoro-4-(2-methyl-1,3-dioxolan-2-yl)butane-1-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 244.05809 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]+	245.06537	147.7
[M+Na]+	267.04731	154.1
[M-H]-	243.05081	148.2
[M+NH4]+	262.09191	165.7
[M+K]+	283.02125	155.0
[M+H-H2O]+	227.05535	142.7
[M+HCOO]-	289.05629	158.5
[M+CH3COO]-	303.07194	184.0
[M+Na-2H]-	265.03276	151.1
[M]+	244.05754	148.6
[M]-	244.05864	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe