CID 46837494

845617-30-3

Structural Information

Molecular Formula
C10H12F3N3
SMILES
C1CN(CCN1)C2=CN=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H12F3N3/c11-10(12,13)9-2-1-8(7-15-9)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
InChIKey
FCNLATMNOJLXID-UHFFFAOYSA-N
Compound name
1-[6-(trifluoromethyl)pyridin-3-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

231.09833 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10561 150.6
[M+Na]+ 254.08755 157.1
[M-H]- 230.09105 147.1
[M+NH4]+ 249.13215 163.3
[M+K]+ 270.06149 152.2
[M+H-H2O]+ 214.09559 139.1
[M+HCOO]- 276.09653 161.5
[M+CH3COO]- 290.11218 185.7
[M+Na-2H]- 252.07300 155.3
[M]+ 231.09778 140.0
[M]- 231.09888 140.0
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