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]+ 202.08382 139.5
[M+Na]+ 224.06576 146.4
[M-H]- 200.06926 139.6
[M+NH4]+ 219.11036 150.4
[M+K]+ 240.03970 145.3
[M+H-H2O]+ 184.07380 125.7
[M+HCOO]- 246.07474 154.7
[M+CH3COO]- 260.09039 184.9
[M+Na-2H]- 222.05121 144.5
[M]+ 201.07599 140.7
[M]- 201.07709 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.