CID 16119327

936901-73-4

Structural Information

Molecular Formula
C10H7BrClN3O
SMILES
C1C(CC1=O)C2=NC(=C3N2C=CN=C3Cl)Br
InChI
InChI=1S/C10H7BrClN3O/c11-8-7-9(12)13-1-2-15(7)10(14-8)5-3-6(16)4-5/h1-2,5H,3-4H2
InChIKey
SPFGLRKIXCHBPT-UHFFFAOYSA-N
Compound name
3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

298.9461 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.95338 140.3
[M+Na]+ 321.93532 155.7
[M-H]- 297.93882 147.4
[M+NH4]+ 316.97992 154.0
[M+K]+ 337.90926 145.8
[M+H-H2O]+ 281.94336 135.4
[M+HCOO]- 343.94430 155.2
[M+CH3COO]- 357.95995 155.6
[M+Na-2H]- 319.92077 147.7
[M]+ 298.94555 170.3
[M]- 298.94665 170.3
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