CID 211154

22444-69-5

Structural Information

Molecular Formula
C13H18F3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCCO
InChI
InChI=1S/C13H18F3NO/c1-10(17-6-3-7-18)8-11-4-2-5-12(9-11)13(14,15)16/h2,4-5,9-10,17-18H,3,6-8H2,1H3
InChIKey
XFUOIIGOAIUWRS-UHFFFAOYSA-N
Compound name
3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.13406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14134 158.5
[M+Na]+ 284.12328 164.2
[M-H]- 260.12678 156.3
[M+NH4]+ 279.16788 174.3
[M+K]+ 300.09722 160.4
[M+H-H2O]+ 244.13132 149.8
[M+HCOO]- 306.13226 175.7
[M+CH3COO]- 320.14791 197.6
[M+Na-2H]- 282.10873 161.2
[M]+ 261.13351 154.2
[M]- 261.13461 154.2
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

patents stripe