CID 131016367

2567498-60-4

Structural Information

Molecular Formula
C5H8F3N
SMILES
CC1(CNC1)C(F)(F)F
InChI
InChI=1S/C5H8F3N/c1-4(2-9-3-4)5(6,7)8/h9H,2-3H2,1H3
InChIKey
BPIVTZCUMUGOJY-UHFFFAOYSA-N
Compound name
3-methyl-3-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 126.9
[M+Na]+ 162.05010 134.2
[M-H]- 138.05360 124.4
[M+NH4]+ 157.09470 142.1
[M+K]+ 178.02404 135.2
[M+H-H2O]+ 122.05814 116.0
[M+HCOO]- 184.05908 142.0
[M+CH3COO]- 198.07473 173.3
[M+Na-2H]- 160.03555 133.4
[M]+ 139.06033 128.4
[M]- 139.06143 128.4
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