CID 83668204

4-bromo-5h,7h-furo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C6H5BrN2O
SMILES
C1C2=C(CO1)N=CN=C2Br
InChI
InChI=1S/C6H5BrN2O/c7-6-4-1-10-2-5(4)8-3-9-6/h3H,1-2H2
InChIKey
AGHNDHSJRLICKN-UHFFFAOYSA-N
Compound name
4-bromo-5,7-dihydrofuro[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.95853 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.96581 131.6
[M+Na]+ 222.94775 144.9
[M-H]- 198.95125 137.1
[M+NH4]+ 217.99235 153.6
[M+K]+ 238.92169 136.1
[M+H-H2O]+ 182.95579 131.7
[M+HCOO]- 244.95673 151.0
[M+CH3COO]- 258.97238 147.7
[M+Na-2H]- 220.93320 141.8
[M]+ 199.95798 150.8
[M]- 199.95908 150.8
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.