CID 3527022

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

Structural Information

Molecular Formula
C10H8BrN3O
SMILES
C1=CC(=CC(=C1)OC2=NC=C(C=N2)Br)N
InChI
InChI=1S/C10H8BrN3O/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H,12H2
InChIKey
FPUBXWSYDNKOQY-UHFFFAOYSA-N
Compound name
3-(5-bromopyrimidin-2-yl)oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.98508 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99236 149.0
[M+Na]+ 287.97430 154.1
[M+NH4]+ 283.01890 153.5
[M+K]+ 303.94824 153.4
[M-H]- 263.97780 151.2
[M+Na-2H]- 285.95975 155.2
[M]+ 264.98453 149.2
[M]- 264.98563 149.2
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.