CID 155820939

2490426-51-0

Structural Information

Molecular Formula
C9H14F2O
SMILES
CC1(CC2(C1)CC(C2)(F)F)CO
InChI
InChI=1S/C9H14F2O/c1-7(6-12)2-8(3-7)4-9(10,11)5-8/h12H,2-6H2,1H3
InChIKey
WAKUBZXHGKMIIA-UHFFFAOYSA-N
Compound name
(2,2-difluoro-6-methylspiro[3.3]heptan-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10127 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10855 135.8
[M+Na]+ 199.09049 142.4
[M-H]- 175.09399 138.9
[M+NH4]+ 194.13509 148.1
[M+K]+ 215.06443 144.9
[M+H-H2O]+ 159.09853 125.3
[M+HCOO]- 221.09947 151.1
[M+CH3COO]- 235.11512 190.8
[M+Na-2H]- 197.07594 141.7
[M]+ 176.10072 148.6
[M]- 176.10182 148.6
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.