CID 135393167

2231674-33-0

Structural Information

Molecular Formula
C5H8F2O2
SMILES
C1C(CC1(F)F)(CO)O
InChI
InChI=1S/C5H8F2O2/c6-5(7)1-4(9,2-5)3-8/h8-9H,1-3H2
InChIKey
MJOGZEVMVINLHS-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.04924 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 125.3
[M+Na]+ 161.03846 133.1
[M-H]- 137.04196 124.7
[M+NH4]+ 156.08306 143.2
[M+K]+ 177.01240 134.3
[M+H-H2O]+ 121.04650 117.3
[M+HCOO]- 183.04744 143.1
[M+CH3COO]- 197.06309 170.6
[M+Na-2H]- 159.02391 131.9
[M]+ 138.04869 129.9
[M]- 138.04979 129.9
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.