CID 63867085

3-[(5-bromopyrimidin-2-yl)oxy]benzonitrile

Structural Information

Molecular Formula
C11H6BrN3O
SMILES
C1=CC(=CC(=C1)OC2=NC=C(C=N2)Br)C#N
InChI
InChI=1S/C11H6BrN3O/c12-9-6-14-11(15-7-9)16-10-3-1-2-8(4-10)5-13/h1-4,6-7H
InChIKey
VIHCBAMPDSHOBI-UHFFFAOYSA-N
Compound name
3-(5-bromopyrimidin-2-yl)oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.96942 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.97670 145.3
[M+Na]+ 297.95864 159.2
[M-H]- 273.96214 149.2
[M+NH4]+ 293.00324 160.4
[M+K]+ 313.93258 146.9
[M+H-H2O]+ 257.96668 136.4
[M+HCOO]- 319.96762 164.2
[M+CH3COO]- 333.98327 158.0
[M+Na-2H]- 295.94409 153.7
[M]+ 274.96887 157.8
[M]- 274.96997 157.8
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

patents stripe