CID 66287606

1536928-65-0

Structural Information

Molecular Formula
C13H10BrNO3
SMILES
COC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H10BrNO3/c1-17-13(16)12-8-11(6-7-15-12)18-10-4-2-9(14)3-5-10/h2-8H,1H3
InChIKey
NWJZKKXJILDETE-UHFFFAOYSA-N
Compound name
methyl 4-(4-bromophenoxy)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9844 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99168 157.1
[M+Na]+ 329.97362 168.4
[M-H]- 305.97712 165.3
[M+NH4]+ 325.01822 174.3
[M+K]+ 345.94756 158.0
[M+H-H2O]+ 289.98166 155.5
[M+HCOO]- 351.98260 177.8
[M+CH3COO]- 365.99825 198.8
[M+Na-2H]- 327.95907 164.1
[M]+ 306.98385 178.4
[M]- 306.98495 178.4
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.