CID 97987441

Sodium 1,1-difluoro-4-(2-methyl-1,3-dioxolan-2-yl)butane-1-sulfinate

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06537 155.6
[M+Na]+ 267.04731 160.8
[M+NH4]+ 262.09191 161.7
[M+K]+ 283.02125 156.8
[M-H]- 243.05081 153.3
[M+Na-2H]- 265.03276 155.9
[M]+ 244.05754 155.8
[M]- 244.05864 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe