CID 169449382

(s)-n-hydroxynordexfenfluramine

Structural Information

Molecular Formula
C10H12F3NO
SMILES
C[C@@H](CC1=CC(=CC=C1)C(F)(F)F)NO
InChI
InChI=1S/C10H12F3NO/c1-7(14-15)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7,14-15H,5H2,1H3/t7-/m0/s1
InChIKey
WCJDAVUCGZTNMX-ZETCQYMHSA-N
Compound name
N-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0871 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 144.5
[M+Na]+ 242.07632 151.5
[M-H]- 218.07982 142.9
[M+NH4]+ 237.12092 162.0
[M+K]+ 258.05026 148.4
[M+H-H2O]+ 202.08436 136.3
[M+HCOO]- 264.08530 162.6
[M+CH3COO]- 278.10095 188.5
[M+Na-2H]- 240.06177 148.8
[M]+ 219.08655 139.1
[M]- 219.08765 139.1
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

No patent data available for this compound.