CID 155820376

2567503-96-0

Structural Information

Molecular Formula
C7H12F2OS
SMILES
CSCC1(CC(C1)(F)F)CO
InChI
InChI=1S/C7H12F2OS/c1-11-5-6(4-10)2-7(8,9)3-6/h10H,2-5H2,1H3
InChIKey
CQNMUUOGLJEMLI-UHFFFAOYSA-N
Compound name
[3,3-difluoro-1-(methylsulfanylmethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0577 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.064976 132.1
[M+Na]+ 205.046918 138.6
[M-H]- 181.050424 132.0
[M+NH4]+ 200.091523 149.2
[M+K]+ 221.020858 139.1
[M+H-H2O]+ 165.054960 122.7
[M+HCOO]- 227.055901 145.0
[M+CH3COO]- 241.071551 180.8
[M+Na-2H]- 203.032366 135.3
[M]+ 182.05715142 139.8
[M]- 182.05824858 139.8
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

No patent data available for this compound.