CID 165999722

2-(3,3-difluorocyclopentyl)-2-methoxyethan-1-ol

Structural Information

Molecular Formula
C8H14F2O2
SMILES
COC(CO)C1CCC(C1)(F)F
InChI
InChI=1S/C8H14F2O2/c1-12-7(5-11)6-2-3-8(9,10)4-6/h6-7,11H,2-5H2,1H3
InChIKey
ALYGRXPPWFYAGU-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclopentyl)-2-methoxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.09619 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10347 136.8
[M+Na]+ 203.08541 143.6
[M-H]- 179.08891 136.2
[M+NH4]+ 198.13001 159.8
[M+K]+ 219.05935 142.4
[M+H-H2O]+ 163.09345 131.1
[M+HCOO]- 225.09439 155.3
[M+CH3COO]- 239.11004 177.5
[M+Na-2H]- 201.07086 139.0
[M]+ 180.09564 132.8
[M]- 180.09674 132.8
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

No patent data available for this compound.