CID 71756928

3-(difluoromethyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula
C4H7F2NO
SMILES
C1C(CN1)(C(F)F)O
InChI
InChI=1S/C4H7F2NO/c5-3(6)4(8)1-7-2-4/h3,7-8H,1-2H2
InChIKey
NSDKIAODRQJVBC-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

123.04957 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05685 124.1
[M+Na]+ 146.03879 130.3
[M-H]- 122.04229 121.3
[M+NH4]+ 141.08339 138.9
[M+K]+ 162.01273 131.8
[M+H-H2O]+ 106.04683 113.5
[M+HCOO]- 168.04777 139.8
[M+CH3COO]- 182.06342 168.1
[M+Na-2H]- 144.02424 129.3
[M]+ 123.04902 125.9
[M]- 123.05012 125.9
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

patents stripe