CID 66596287

3-(fluoromethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C4H8FN
SMILES
C1C(CN1)CF
InChI
InChI=1S/C4H8FN/c5-1-4-2-6-3-4/h4,6H,1-3H2
InChIKey
XHELGHANYVVRLW-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

374
Patents

89.06408 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.071356 113.4
[M+Na]+ 112.05330 119.7
[M-H]- 88.056804 113.0
[M+NH4]+ 107.09790 128.7
[M+K]+ 128.02724 121.6
[M+H-H2O]+ 72.061340 102.7
[M+HCOO]- 134.06228 132.5
[M+CH3COO]- 148.07793 165.7
[M+Na-2H]- 110.03875 120.5
[M]+ 89.063531 117.3
[M]- 89.064629 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

No literature data available for this compound.

Patent stripe

patents stripe