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]+ 183.06498 132.1
[M+Na]+ 205.04692 138.6
[M-H]- 181.05042 132.0
[M+NH4]+ 200.09152 149.2
[M+K]+ 221.02086 139.1
[M+H-H2O]+ 165.05496 122.7
[M+HCOO]- 227.05590 145.0
[M+CH3COO]- 241.07155 180.8
[M+Na-2H]- 203.03237 135.3
[M]+ 182.05715 139.8
[M]- 182.05825 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.