CID 165634993

2,2-difluoro-3-methanesulfonylpropan-1-ol

Structural Information

Molecular Formula
C4H8F2O3S
SMILES
CS(=O)(=O)CC(CO)(F)F
InChI
InChI=1S/C4H8F2O3S/c1-10(8,9)3-4(5,6)2-7/h7H,2-3H2,1H3
InChIKey
RFLSDBASCHKILV-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylsulfonylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.01622 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02350 129.5
[M+Na]+ 197.00544 138.1
[M-H]- 173.00894 126.3
[M+NH4]+ 192.05004 149.4
[M+K]+ 212.97938 136.3
[M+H-H2O]+ 157.01348 124.0
[M+HCOO]- 219.01442 142.8
[M+CH3COO]- 233.03007 172.8
[M+Na-2H]- 194.99089 134.0
[M]+ 174.01567 129.6
[M]- 174.01677 129.6
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.