CID 21980033

2-(fluoromethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C4H8FN
SMILES
C1CNC1CF
InChI
InChI=1S/C4H8FN/c5-3-4-1-2-6-4/h4,6H,1-3H2
InChIKey
FJEHOKRORRMMCC-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

89.06408 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.071356 113.4
[M+Na]+ 112.053298 119.7
[M-H]- 88.056804 113.0
[M+NH4]+ 107.097903 128.7
[M+K]+ 128.027238 121.6
[M+H-H2O]+ 72.061340 102.7
[M+HCOO]- 134.062281 132.5
[M+CH3COO]- 148.077931 165.7
[M+Na-2H]- 110.038746 120.5
[M]+ 89.06353142 117.3
[M]- 89.06462858 117.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe