CID 3041957

58892-45-8

Structural Information

Molecular Formula
C8H12F3N7
SMILES
C1CN(CCN1)C2=NC(=NC(=N2)NN)C(F)(F)F
InChI
InChI=1S/C8H12F3N7/c9-8(10,11)5-14-6(17-12)16-7(15-5)18-3-1-13-2-4-18/h13H,1-4,12H2,(H,14,15,16,17)
InChIKey
GERNLEXXWQVTMR-UHFFFAOYSA-N
Compound name
[4-piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11063 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11791 149.6
[M+Na]+ 286.09985 156.0
[M+NH4]+ 281.14445 152.2
[M+K]+ 302.07379 153.7
[M-H]- 262.10335 145.6
[M+Na-2H]- 284.08530 153.3
[M]+ 263.11008 148.6
[M]- 263.11118 148.6
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

No patent data available for this compound.