CID 2775751

1692-79-1

Structural Information

Molecular Formula
C12H13F3N2O2
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C12H13F3N2O2/c13-12(14,15)9-4-5-10(11(8-9)17(18)19)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKey
ZKCJWUWQXSPDEO-UHFFFAOYSA-N
Compound name
1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

274.09293 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10021 156.4
[M+Na]+ 297.08215 161.9
[M-H]- 273.08565 157.3
[M+NH4]+ 292.12675 170.1
[M+K]+ 313.05609 154.3
[M+H-H2O]+ 257.09019 150.7
[M+HCOO]- 319.09113 172.2
[M+CH3COO]- 333.10678 191.2
[M+Na-2H]- 295.06760 161.7
[M]+ 274.09238 146.7
[M]- 274.09348 146.7
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