CID 165648237

3-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-ol

Structural Information

Molecular Formula
C9H16F2O
SMILES
CC(C)(CC1CC(C1)(F)F)CO
InChI
InChI=1S/C9H16F2O/c1-8(2,6-12)3-7-4-9(10,11)5-7/h7,12H,3-6H2,1-2H3
InChIKey
YGWMFMNICDDGGZ-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11693 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12421 139.6
[M+Na]+ 201.10615 145.9
[M-H]- 177.10965 139.6
[M+NH4]+ 196.15075 154.9
[M+K]+ 217.08009 146.9
[M+H-H2O]+ 161.11419 130.1
[M+HCOO]- 223.11513 155.9
[M+CH3COO]- 237.13078 183.4
[M+Na-2H]- 199.09160 144.2
[M]+ 178.11638 145.1
[M]- 178.11748 145.1
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.