CID 52987742

845616-55-9

Structural Information

Molecular Formula
C9H11F3N4
SMILES
C1CN(CCN1)C2=NC=NC(=C2)C(F)(F)F
InChI
InChI=1S/C9H11F3N4/c10-9(11,12)7-5-8(15-6-14-7)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKey
QDKHOCPDMXKZCN-UHFFFAOYSA-N
Compound name
4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

232.09358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.100856 151.5
[M+Na]+ 255.082798 158.4
[M-H]- 231.086304 146.7
[M+NH4]+ 250.127403 162.6
[M+K]+ 271.056738 153.4
[M+H-H2O]+ 215.090840 139.3
[M+HCOO]- 277.091781 161.3
[M+CH3COO]- 291.107431 185.7
[M+Na-2H]- 253.068246 156.6
[M]+ 232.09303142 141.1
[M]- 232.09412858 141.1
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