CID 135393167

3,3-difluoro-1-(hydroxymethyl)cyclobutan-1-ol

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]+ 139.056516 125.3
[M+Na]+ 161.038458 133.1
[M-H]- 137.041964 124.7
[M+NH4]+ 156.083063 143.2
[M+K]+ 177.012398 134.3
[M+H-H2O]+ 121.046500 117.3
[M+HCOO]- 183.047441 143.1
[M+CH3COO]- 197.063091 170.6
[M+Na-2H]- 159.023906 131.9
[M]+ 138.04869142 129.9
[M]- 138.04978858 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.