CID 22500954

3,3-difluorocyclobutanol

Structural Information

Molecular Formula
C4H6F2O
SMILES
C1C(CC1(F)F)O
InChI
InChI=1S/C4H6F2O/c5-4(6)1-3(7)2-4/h3,7H,1-2H2
InChIKey
BFLCYDVYEGKWSQ-UHFFFAOYSA-N
Compound name
3,3-difluorocyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

882
Patents

108.03867 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04595 115.3
[M+Na]+ 131.02789 123.3
[M-H]- 107.03139 115.9
[M+NH4]+ 126.07249 133.3
[M+K]+ 147.00183 125.1
[M+H-H2O]+ 91.035930 106.2
[M+HCOO]- 153.03687 134.8
[M+CH3COO]- 167.05252 168.4
[M+Na-2H]- 129.01334 122.0
[M]+ 108.03812 119.6
[M]- 108.03922 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe