CID 82486527

2-(3-bromo-4-methoxyphenyl)pyrimidine

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
COC1=C(C=C(C=C1)C2=NC=CC=N2)Br
InChI
InChI=1S/C11H9BrN2O/c1-15-10-4-3-8(7-9(10)12)11-13-5-2-6-14-11/h2-7H,1H3
InChIKey
SVSPYOXHQSSXCC-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-methoxyphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.98984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.997116 146.5
[M+Na]+ 286.979058 159.0
[M-H]- 262.982564 153.5
[M+NH4]+ 282.023663 164.4
[M+K]+ 302.952998 147.8
[M+H-H2O]+ 246.987100 144.9
[M+HCOO]- 308.988041 167.1
[M+CH3COO]- 323.003691 161.4
[M+Na-2H]- 284.964506 155.9
[M]+ 263.98929142 166.4
[M]- 263.99038858 166.4
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.