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]+ 264.99712 146.5
[M+Na]+ 286.97906 159.0
[M-H]- 262.98256 153.5
[M+NH4]+ 282.02366 164.4
[M+K]+ 302.95300 147.8
[M+H-H2O]+ 246.98710 144.9
[M+HCOO]- 308.98804 167.1
[M+CH3COO]- 323.00369 161.4
[M+Na-2H]- 284.96451 155.9
[M]+ 263.98929 166.4
[M]- 263.99039 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.