CID 165951141

3-(difluoromethyl)-5h,6h,7h,8h-imidazo[1,5-a]pyrazine

Structural Information

Molecular Formula
C7H9F2N3
SMILES
C1CN2C(=CN=C2C(F)F)CN1
InChI
InChI=1S/C7H9F2N3/c8-6(9)7-11-4-5-3-10-1-2-12(5)7/h4,6,10H,1-3H2
InChIKey
FFTKVRQOZJRATI-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07645 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.08373 133.8
[M+Na]+ 196.06567 141.8
[M-H]- 172.06917 129.9
[M+NH4]+ 191.11027 152.0
[M+K]+ 212.03961 138.5
[M+H-H2O]+ 156.07371 124.5
[M+HCOO]- 218.07465 148.2
[M+CH3COO]- 232.09030 144.9
[M+Na-2H]- 194.05112 137.8
[M]+ 173.07590 126.9
[M]- 173.07700 126.9
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.