CID 72698875

1203684-79-0

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1C(CN1)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C10H10F3N/c11-10(12,13)9-4-2-1-3-8(9)7-5-14-6-7/h1-4,7,14H,5-6H2
InChIKey
KGNXGBJVTMDVCO-UHFFFAOYSA-N
Compound name
3-[2-(trifluoromethyl)phenyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07654 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083816 139.5
[M+Na]+ 224.065758 146.4
[M-H]- 200.069264 139.6
[M+NH4]+ 219.110363 150.4
[M+K]+ 240.039698 145.3
[M+H-H2O]+ 184.073800 125.7
[M+HCOO]- 246.074741 154.7
[M+CH3COO]- 260.090391 184.9
[M+Na-2H]- 222.051206 144.5
[M]+ 201.07599142 140.7
[M]- 201.07708858 140.7
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.