CID 63220274

4-[3-(trifluoromethoxy)phenyl]oxan-4-amine hydrochloride

Structural Information

Molecular Formula
C12H14F3NO2
SMILES
C1COCCC1(C2=CC(=CC=C2)OC(F)(F)F)N
InChI
InChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-2-9(8-10)11(16)4-6-17-7-5-11/h1-3,8H,4-7,16H2
InChIKey
XFISAGSHNUYXMR-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethoxy)phenyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.09766 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10494 155.5
[M+Na]+ 284.08688 161.8
[M-H]- 260.09038 158.0
[M+NH4]+ 279.13148 172.0
[M+K]+ 300.06082 160.0
[M+H-H2O]+ 244.09492 146.4
[M+HCOO]- 306.09586 171.4
[M+CH3COO]- 320.11151 194.0
[M+Na-2H]- 282.07233 161.2
[M]+ 261.09711 148.1
[M]- 261.09821 148.1
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.