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

33
Patents

108.03867 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.045946 115.3
[M+Na]+ 131.027888 123.3
[M-H]- 107.031394 115.9
[M+NH4]+ 126.072493 133.3
[M+K]+ 147.001828 125.1
[M+H-H2O]+ 91.035930 106.2
[M+HCOO]- 153.036871 134.8
[M+CH3COO]- 167.052521 168.4
[M+Na-2H]- 129.013336 122.0
[M]+ 108.03812142 119.6
[M]- 108.03921858 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