CID 2782945

153204-82-1

Structural Information

Molecular Formula
C11H12F3N3O2
SMILES
C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C11H12F3N3O2/c12-11(13,14)9-7-8(1-2-10(9)17(18)19)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2
InChIKey
GGXGAQDEUXECHQ-UHFFFAOYSA-N
Compound name
1-[4-nitro-3-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.08817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09545 155.6
[M+Na]+ 298.07739 161.1
[M-H]- 274.08089 154.0
[M+NH4]+ 293.12199 167.2
[M+K]+ 314.05133 152.6
[M+H-H2O]+ 258.08543 149.5
[M+HCOO]- 320.08637 169.0
[M+CH3COO]- 334.10202 188.2
[M+Na-2H]- 296.06284 161.5
[M]+ 275.08762 144.2
[M]- 275.08872 144.2
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

patents stripe