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]+ 265.992356 146.2
[M+Na]+ 287.974298 158.1
[M-H]- 263.977804 152.8
[M+NH4]+ 283.018903 163.4
[M+K]+ 303.948238 146.3
[M+H-H2O]+ 247.982340 144.1
[M+HCOO]- 309.983281 167.4
[M+CH3COO]- 323.998931 160.6
[M+Na-2H]- 285.959746 155.5
[M]+ 264.98453142 164.1
[M]- 264.98562858 164.1
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.