CID 135395278

[3-(difluoromethyl)azetidin-3-yl]methanol;hydrochloride

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(CN1)(CO)C(F)F
InChI
InChI=1S/C5H9F2NO/c6-4(7)5(3-9)1-8-2-5/h4,8-9H,1-3H2
InChIKey
ZDJAWZWEDKDHIE-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)azetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.06522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 132.9
[M+Na]+ 160.05444 136.4
[M+NH4]+ 155.09904 136.5
[M+K]+ 176.02838 132.4
[M-H]- 136.05794 126.9
[M+Na-2H]- 158.03989 134.1
[M]+ 137.06467 130.2
[M]- 137.06577 130.2
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.