CID 63935053

1803591-16-3

Structural Information

Molecular Formula
C13H16F3NO
SMILES
C1COCCC1C(C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(17)9-4-6-18-7-5-9/h1-3,8-9,12H,4-7,17H2
InChIKey
DQVBLMWUVHUBEG-UHFFFAOYSA-N
Compound name
oxan-4-yl-[3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12568 157.2
[M+Na]+ 282.10762 161.7
[M-H]- 258.11112 159.1
[M+NH4]+ 277.15222 171.6
[M+K]+ 298.08156 159.3
[M+H-H2O]+ 242.11566 147.5
[M+HCOO]- 304.11660 171.5
[M+CH3COO]- 318.13225 196.2
[M+Na-2H]- 280.09307 159.8
[M]+ 259.11785 147.7
[M]- 259.11895 147.7
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.