CID 134714837

[1-(2,2-difluoroethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C7H12F2O
SMILES
C1CC(C1)(CC(F)F)CO
InChI
InChI=1S/C7H12F2O/c8-6(9)4-7(5-10)2-1-3-7/h6,10H,1-5H2
InChIKey
PLYIAELBZOTNLY-UHFFFAOYSA-N
Compound name
[1-(2,2-difluoroethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 131.8
[M+Na]+ 173.07484 137.3
[M-H]- 149.07834 131.5
[M+NH4]+ 168.11944 147.7
[M+K]+ 189.04878 138.9
[M+H-H2O]+ 133.08288 121.7
[M+HCOO]- 195.08382 149.3
[M+CH3COO]- 209.09947 177.0
[M+Na-2H]- 171.06029 136.1
[M]+ 150.08507 136.1
[M]- 150.08617 136.1
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.