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 158.9
[M+Na]+ 286.09985 165.7
[M-H]- 262.10335 153.1
[M+NH4]+ 281.14445 166.9
[M+K]+ 302.07379 160.1
[M+H-H2O]+ 246.10789 146.2
[M+HCOO]- 308.10883 169.3
[M+CH3COO]- 322.12448 196.4
[M+Na-2H]- 284.08530 164.2
[M]+ 263.11008 147.0
[M]- 263.11118 147.0
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

No patent data available for this compound.