CID 131518457

2,2-difluorocyclobutan-1-ol

Structural Information

Molecular Formula
C4H6F2O
SMILES
C1CC(C1O)(F)F
InChI
InChI=1S/C4H6F2O/c5-4(6)2-1-3(4)7/h3,7H,1-2H2
InChIKey
DJFLRJGNAIMTFV-UHFFFAOYSA-N
Compound name
2,2-difluorocyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe