CID 163592080

2,2-difluoro-3-(methylsulfanyl)propan-1-ol

Structural Information

Molecular Formula
C4H8F2OS
SMILES
CSCC(CO)(F)F
InChI
InChI=1S/C4H8F2OS/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3
InChIKey
GQIPMWBCUIHRGS-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylsulfanylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.0264 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03368 123.9
[M+Na]+ 165.01562 131.9
[M-H]- 141.01912 120.6
[M+NH4]+ 160.06022 145.4
[M+K]+ 180.98956 130.2
[M+H-H2O]+ 125.02366 118.2
[M+HCOO]- 187.02460 138.0
[M+CH3COO]- 201.04025 170.2
[M+Na-2H]- 163.00107 127.4
[M]+ 142.02585 123.1
[M]- 142.02695 123.1
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