CID 45080959

2-bromo-1-(pyrimidin-2-yl)ethanone hydrobromide

Structural Information

Molecular Formula
C6H5BrN2O
SMILES
C1=CN=C(N=C1)C(=O)CBr
InChI
InChI=1S/C6H5BrN2O/c7-4-5(10)6-8-2-1-3-9-6/h1-3H,4H2
InChIKey
WMHOYHBWJCJLLR-UHFFFAOYSA-N
Compound name
2-bromo-1-pyrimidin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

199.95853 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.96581 129.0
[M+Na]+ 222.94775 140.9
[M-H]- 198.95125 132.9
[M+NH4]+ 217.99235 149.2
[M+K]+ 238.92169 130.9
[M+H-H2O]+ 182.95579 128.5
[M+HCOO]- 244.95673 149.2
[M+CH3COO]- 258.97238 180.4
[M+Na-2H]- 220.93320 139.0
[M]+ 199.95798 147.7
[M]- 199.95908 147.7
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