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

48
Patents

232.09358 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10086 151.5
[M+Na]+ 255.08280 158.4
[M-H]- 231.08630 146.7
[M+NH4]+ 250.12740 162.6
[M+K]+ 271.05674 153.4
[M+H-H2O]+ 215.09084 139.3
[M+HCOO]- 277.09178 161.3
[M+CH3COO]- 291.10743 185.7
[M+Na-2H]- 253.06825 156.6
[M]+ 232.09303 141.1
[M]- 232.09413 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