CID 165845529

1-nitroso-4-[4-(trifluoromethyl)phenyl]piperazine

Structural Information

Molecular Formula
C11H12F3N3O
SMILES
C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)N=O
InChI
InChI=1S/C11H12F3N3O/c12-11(13,14)9-1-3-10(4-2-9)16-5-7-17(15-18)8-6-16/h1-4H,5-8H2
InChIKey
YNNNTEMDCIRZGS-UHFFFAOYSA-N
Compound name
1-nitroso-4-[4-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.09326 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10054 155.2
[M+Na]+ 282.08248 162.4
[M-H]- 258.08598 156.1
[M+NH4]+ 277.12708 169.3
[M+K]+ 298.05642 159.2
[M+H-H2O]+ 242.09052 143.6
[M+HCOO]- 304.09146 171.6
[M+CH3COO]- 318.10711 198.2
[M+Na-2H]- 280.06793 160.1
[M]+ 259.09271 148.6
[M]- 259.09381 148.6
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

No patent data available for this compound.