CID 155822045

Rac-[(3r,4s)-1,1-difluorospiro[2.5]octan-4-yl]methanol

Structural Information

Molecular Formula
C9H14F2O
SMILES
C1CC[C@]2(CC2(F)F)[C@@H](C1)CO
InChI
InChI=1S/C9H14F2O/c10-9(11)6-8(9)4-2-1-3-7(8)5-12/h7,12H,1-6H2/t7-,8-/m0/s1
InChIKey
OHJWKXSNWHWPAX-YUMQZZPRSA-N
Compound name
[(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10127 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10855 143.5
[M+Na]+ 199.09049 153.3
[M+NH4]+ 194.13509 154.2
[M+K]+ 215.06443 145.8
[M-H]- 175.09399 149.8
[M+Na-2H]- 197.07594 151.9
[M]+ 176.10072 147.8
[M]- 176.10182 147.8
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.