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

45
Patents

259.12964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.136916 158.5
[M+Na]+ 282.118858 164.6
[M-H]- 258.122364 157.3
[M+NH4]+ 277.163463 171.9
[M+K]+ 298.092798 160.0
[M+H-H2O]+ 242.126900 147.3
[M+HCOO]- 304.127841 172.1
[M+CH3COO]- 318.143491 196.8
[M+Na-2H]- 280.104306 161.4
[M]+ 259.12909142 148.7
[M]- 259.13018858 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