CID 101196224

N-nitrosofenfluramine

Structural Information

Molecular Formula
C12H15F3N2O
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)N=O
InChI
InChI=1S/C12H15F3N2O/c1-3-17(16-18)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9H,3,7H2,1-2H3
InChIKey
JVGWNJLSTCQSCZ-UHFFFAOYSA-N
Compound name
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

260.11365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.120926 156.0
[M+Na]+ 283.102868 162.5
[M-H]- 259.106374 158.3
[M+NH4]+ 278.147473 173.5
[M+K]+ 299.076808 161.6
[M+H-H2O]+ 243.110910 146.3
[M+HCOO]- 305.111851 178.2
[M+CH3COO]- 319.127501 207.3
[M+Na-2H]- 281.088316 159.8
[M]+ 260.11310142 154.9
[M]- 260.11419858 154.9
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