CID 66271273

2-(2,2-difluoroethyl)-2h,3h,5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]piperazin-3-one

Structural Information

Molecular Formula
C7H10F2N4O
SMILES
C1CN2C(=NN(C2=O)CC(F)F)CN1
InChI
InChI=1S/C7H10F2N4O/c8-5(9)4-13-7(14)12-2-1-10-3-6(12)11-13/h5,10H,1-4H2
InChIKey
KOYZUSPJMVTYSD-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08226 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08954 141.2
[M+Na]+ 227.07148 150.3
[M-H]- 203.07498 136.4
[M+NH4]+ 222.11608 156.9
[M+K]+ 243.04542 146.7
[M+H-H2O]+ 187.07952 131.3
[M+HCOO]- 249.08046 154.6
[M+CH3COO]- 263.09611 181.9
[M+Na-2H]- 225.05693 144.3
[M]+ 204.08171 136.0
[M]- 204.08281 136.0
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.