CID 165684286

3-(3,3-difluorocyclobutyl)propan-1-ol

Structural Information

Molecular Formula
C7H12F2O
SMILES
C1C(CC1(F)F)CCCO
InChI
InChI=1S/C7H12F2O/c8-7(9)4-6(5-7)2-1-3-10/h6,10H,1-5H2
InChIKey
VYGMDTBHOZNUSN-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.08562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 129.4
[M+Na]+ 173.07484 136.1
[M-H]- 149.07834 129.4
[M+NH4]+ 168.11944 145.7
[M+K]+ 189.04878 137.2
[M+H-H2O]+ 133.08288 119.6
[M+HCOO]- 195.08382 147.9
[M+CH3COO]- 209.09947 177.2
[M+Na-2H]- 171.06029 134.5
[M]+ 150.08507 134.7
[M]- 150.08617 134.7
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.