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]+ 217.09471 145.5
[M+Na]+ 239.07665 152.6
[M-H]- 215.08015 146.6
[M+NH4]+ 234.12125 156.1
[M+K]+ 255.05059 152.1
[M+H-H2O]+ 199.08469 130.9
[M+HCOO]- 261.08563 162.3
[M+CH3COO]- 275.10128 192.6
[M+Na-2H]- 237.06210 149.2
[M]+ 216.08688 147.1
[M]- 216.08798 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.