CID 105427876

1-(3,3-difluorocyclobutyl)ethan-1-ol

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC(C1CC(C1)(F)F)O
InChI
InChI=1S/C6H10F2O/c1-4(9)5-2-6(7,8)3-5/h4-5,9H,2-3H2,1H3
InChIKey
MOJVSYLIEDZMHB-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclobutyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

136.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 126.6
[M+Na]+ 159.059198 133.4
[M-H]- 135.062704 126.8
[M+NH4]+ 154.103803 143.3
[M+K]+ 175.033138 135.2
[M+H-H2O]+ 119.067240 117.0
[M+HCOO]- 181.068181 144.3
[M+CH3COO]- 195.083831 175.1
[M+Na-2H]- 157.044646 130.7
[M]+ 136.06943142 130.8
[M]- 136.07052858 130.8
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