CID 99939049

1622013-58-4

Structural Information

Molecular Formula

C₆H₁₀F₂O₂S

SMILES

C1CC(CCC1S(=O)O)(F)F

InChI

InChI=1S/C6H10F2O2S/c7-6(8)3-1-5(2-4-6)11(9)10/h5H,1-4H2,(H,9,10)

InChIKey

RQCOLWYUXCJDOE-UHFFFAOYSA-N

Compound name

4,4-difluorocyclohexane-1-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 184.03696 Da
Monoisotopic Mass: 1.3
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]+	185.044236	132.3
[M+Na]+	207.026178	139.0
[M-H]-	183.029684	131.6
[M+NH4]+	202.070783	153.6
[M+K]+	223.000118	137.0
[M+H-H2O]+	167.034220	126.5
[M+HCOO]-	229.035161	144.0
[M+CH3COO]-	243.050811	174.8
[M+Na-2H]-	205.011626	133.8
[M]+	184.03641142	127.2
[M]-	184.03750858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe