CID 130792858

(2r,3s)-2-(trifluoromethyl)azetidin-3-ol

Structural Information

Molecular Formula
C4H6F3NO
SMILES
C1[C@@H]([C@@H](N1)C(F)(F)F)O
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)3-2(9)1-8-3/h2-3,8-9H,1H2/t2-,3+/m0/s1
InChIKey
AJGQTGQFQINHTH-STHAYSLISA-N
Compound name
(2R,3S)-2-(trifluoromethyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04743 125.1
[M+Na]+ 164.02937 132.2
[M-H]- 140.03287 121.2
[M+NH4]+ 159.07397 137.8
[M+K]+ 180.00331 133.0
[M+H-H2O]+ 124.03741 113.2
[M+HCOO]- 186.03835 139.2
[M+CH3COO]- 200.05400 171.2
[M+Na-2H]- 162.01482 129.9
[M]+ 141.03960 125.8
[M]- 141.04070 125.8
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.