CID 35748

Hydroxyethylnorfenfluramine

Structural Information

Molecular Formula
C12H16F3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO
InChI
InChI=1S/C12H16F3NO/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15/h2-4,8-9,16-17H,5-7H2,1H3
InChIKey
QAFJMZFAQFGVJS-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

8
Patents

247.1184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.125676 153.9
[M+Na]+ 270.107618 160.0
[M-H]- 246.111124 151.9
[M+NH4]+ 265.152223 170.3
[M+K]+ 286.081558 156.4
[M+H-H2O]+ 230.115660 145.3
[M+HCOO]- 292.116601 171.3
[M+CH3COO]- 306.132251 194.6
[M+Na-2H]- 268.093066 157.1
[M]+ 247.11785142 149.2
[M]- 247.11894858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe