CID 146081943

2-phenyl-2-(trifluoromethyl)azetidine

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CNC1(C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3N/c11-10(12,13)9(6-7-14-9)8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChIKey
PKAMTDBYUYVDHJ-UHFFFAOYSA-N
Compound name
2-phenyl-2-(trifluoromethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07654 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08382 141.5
[M+Na]+ 224.06576 148.4
[M-H]- 200.06926 141.7
[M+NH4]+ 219.11036 154.0
[M+K]+ 240.03970 147.4
[M+H-H2O]+ 184.07380 128.5
[M+HCOO]- 246.07474 156.6
[M+CH3COO]- 260.09039 183.4
[M+Na-2H]- 222.05121 148.0
[M]+ 201.07599 142.6
[M]- 201.07709 142.6
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.