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]+ 220.094376 144.5
[M+Na]+ 242.076318 151.5
[M-H]- 218.079824 142.9
[M+NH4]+ 237.120923 162.0
[M+K]+ 258.050258 148.4
[M+H-H2O]+ 202.084360 136.3
[M+HCOO]- 264.085301 162.6
[M+CH3COO]- 278.100951 188.5
[M+Na-2H]- 240.061766 148.8
[M]+ 219.08655142 139.1
[M]- 219.08764858 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.