CID 11483192

6,7-dibromo-1h,2h-pyrrolo[1,2-a]pyrazin-1-one

Structural Information

Molecular Formula
C7H4Br2N2O
SMILES
C1=CN2C(=CC(=C2Br)Br)C(=O)N1
InChI
InChI=1S/C7H4Br2N2O/c8-4-3-5-7(12)10-1-2-11(5)6(4)9/h1-3H,(H,10,12)
InChIKey
DVJXLGFDWSCHKZ-UHFFFAOYSA-N
Compound name
6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.86905 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.87633 133.6
[M+Na]+ 312.85827 147.9
[M-H]- 288.86177 139.3
[M+NH4]+ 307.90287 153.4
[M+K]+ 328.83221 132.3
[M+H-H2O]+ 272.86631 142.4
[M+HCOO]- 334.86725 149.9
[M+CH3COO]- 348.88290 148.9
[M+Na-2H]- 310.84372 142.5
[M]+ 289.86850 168.8
[M]- 289.86960 168.8
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.