CID 146075390

3,3-difluoro-4-methanesulfonylbutan-1-ol

Structural Information

Molecular Formula
C5H10F2O3S
SMILES
CS(=O)(=O)CC(CCO)(F)F
InChI
InChI=1S/C5H10F2O3S/c1-11(9,10)4-5(6,7)2-3-8/h8H,2-4H2,1H3
InChIKey
VMYSVXKMWMSUES-UHFFFAOYSA-N
Compound name
3,3-difluoro-4-methylsulfonylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03188 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03916 134.0
[M+Na]+ 211.02110 142.2
[M-H]- 187.02460 130.7
[M+NH4]+ 206.06570 153.4
[M+K]+ 226.99504 140.2
[M+H-H2O]+ 171.02914 128.4
[M+HCOO]- 233.03008 147.1
[M+CH3COO]- 247.04573 175.8
[M+Na-2H]- 209.00655 138.0
[M]+ 188.03133 134.5
[M]- 188.03243 134.5
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

No patent data available for this compound.