CID 561897

1-benzyl-2-(trifluoromethyl)aziridine

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1C(N1CC2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3N/c11-10(12,13)9-7-14(9)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
FXTYNGNFIMWUGV-UHFFFAOYSA-N
Compound name
1-benzyl-2-(trifluoromethyl)aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.07654 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083816 137.2
[M+Na]+ 224.065758 147.4
[M-H]- 200.069264 139.7
[M+NH4]+ 219.110363 150.4
[M+K]+ 240.039698 143.4
[M+H-H2O]+ 184.073800 127.4
[M+HCOO]- 246.074741 156.1
[M+CH3COO]- 260.090391 187.8
[M+Na-2H]- 222.051206 143.6
[M]+ 201.07599142 135.4
[M]- 201.07708858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe