CID 66321186

1541474-20-7

Structural Information

Molecular Formula
C11H7BrN2O3
SMILES
C1OC2=C(O1)C=C(C=C2)OC3=NC=NC=C3Br
InChI
InChI=1S/C11H7BrN2O3/c12-8-4-13-5-14-11(8)17-7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2
InChIKey
FITOXBITJRHBHO-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.964 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97128 154.5
[M+Na]+ 316.95322 167.2
[M-H]- 292.95672 163.6
[M+NH4]+ 311.99782 171.2
[M+K]+ 332.92716 159.3
[M+H-H2O]+ 276.96126 153.5
[M+HCOO]- 338.96220 172.9
[M+CH3COO]- 352.97785 169.4
[M+Na-2H]- 314.93867 163.7
[M]+ 293.96345 176.4
[M]- 293.96455 176.4
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.