CID 63759052

1-(4-(trifluoromethyl)phenyl)azetidin-3-amine

Structural Information

Molecular Formula
C10H11F3N2
SMILES
C1C(CN1C2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C10H11F3N2/c11-10(12,13)7-1-3-9(4-2-7)15-5-8(14)6-15/h1-4,8H,5-6,14H2
InChIKey
OKYPMRZPXYEEBO-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.094706 145.5
[M+Na]+ 239.076648 152.6
[M-H]- 215.080154 146.6
[M+NH4]+ 234.121253 156.1
[M+K]+ 255.050588 152.1
[M+H-H2O]+ 199.084690 130.9
[M+HCOO]- 261.085631 162.3
[M+CH3COO]- 275.101281 192.6
[M+Na-2H]- 237.062096 149.2
[M]+ 216.08688142 147.1
[M]- 216.08797858 147.1
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.