CID 86811500

3-fluoro-3-(trifluoromethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C4H5F4N
SMILES
C1C(CN1)(C(F)(F)F)F
InChI
InChI=1S/C4H5F4N/c5-3(1-9-2-3)4(6,7)8/h9H,1-2H2
InChIKey
FNZFCQSGFCMGIS-UHFFFAOYSA-N
Compound name
3-fluoro-3-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

143.03581 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04309 125.2
[M+Na]+ 166.02503 132.9
[M-H]- 142.02853 121.5
[M+NH4]+ 161.06963 140.2
[M+K]+ 181.99897 133.8
[M+H-H2O]+ 126.03307 113.5
[M+HCOO]- 188.03401 139.6
[M+CH3COO]- 202.04966 173.2
[M+Na-2H]- 164.01048 131.6
[M]+ 143.03526 125.1
[M]- 143.03636 125.1
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.