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 134.8
[M+Na]+ 199.09049 143.7
[M-H]- 175.09399 137.6
[M+NH4]+ 194.13509 153.6
[M+K]+ 215.06443 142.0
[M+H-H2O]+ 159.09853 129.1
[M+HCOO]- 221.09947 151.3
[M+CH3COO]- 235.11512 180.1
[M+Na-2H]- 197.07594 140.9
[M]+ 176.10072 131.1
[M]- 176.10182 131.1
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.