CID 18521968

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline

Structural Information

Molecular Formula
C12H16F3N3
SMILES
C1CN(CCN1CC(F)(F)F)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H16F3N3/c13-12(14,15)9-17-5-7-18(8-6-17)11-3-1-10(16)2-4-11/h1-4H,5-9,16H2
InChIKey
USTSWOLARJXUFU-UHFFFAOYSA-N
Compound name
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

259.12964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13692 158.5
[M+Na]+ 282.11886 164.6
[M-H]- 258.12236 157.3
[M+NH4]+ 277.16346 171.9
[M+K]+ 298.09280 160.0
[M+H-H2O]+ 242.12690 147.3
[M+HCOO]- 304.12784 172.1
[M+CH3COO]- 318.14349 196.8
[M+Na-2H]- 280.10431 161.4
[M]+ 259.12909 148.7
[M]- 259.13019 148.7
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