CID 155821033

2490314-56-0

Structural Information

Molecular Formula
C10H16F2O
SMILES
C1C[C@@H]2CC(C[C@H](C1)C2(F)F)CO
InChI
InChI=1S/C10H16F2O/c11-10(12)8-2-1-3-9(10)5-7(4-8)6-13/h7-9,13H,1-6H2/t7?,8-,9+
InChIKey
ZEIVUXDNUZNMEV-CBLAIPOGSA-N
Compound name
[(1S,5R)-9,9-difluoro-3-bicyclo[3.3.1]nonanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11693 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12421 140.9
[M+Na]+ 213.10615 147.0
[M-H]- 189.10965 139.2
[M+NH4]+ 208.15075 163.5
[M+K]+ 229.08009 143.9
[M+H-H2O]+ 173.11419 134.7
[M+HCOO]- 235.11513 154.0
[M+CH3COO]- 249.13078 181.5
[M+Na-2H]- 211.09160 145.6
[M]+ 190.11638 132.9
[M]- 190.11748 132.9
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.