CID 105429423

2-(3,3-difluorocyclobutyl)propan-2-ol

Structural Information

Molecular Formula
C7H12F2O
SMILES
CC(C)(C1CC(C1)(F)F)O
InChI
InChI=1S/C7H12F2O/c1-6(2,10)5-3-7(8,9)4-5/h5,10H,3-4H2,1-2H3
InChIKey
OVEDQJXIVCJTBB-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08562 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 130.2
[M+Na]+ 173.07484 137.3
[M-H]- 149.07834 130.5
[M+NH4]+ 168.11944 146.6
[M+K]+ 189.04878 138.8
[M+H-H2O]+ 133.08288 121.1
[M+HCOO]- 195.08382 147.1
[M+CH3COO]- 209.09947 177.6
[M+Na-2H]- 171.06029 135.8
[M]+ 150.08507 135.0
[M]- 150.08617 135.0
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.