CID 302912

2-[(5-bromo-2-pyridinyl)oxy]acetic acid

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
C1=CC(=NC=C1Br)OCC(=O)O
InChI
InChI=1S/C7H6BrNO3/c8-5-1-2-6(9-3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)
InChIKey
XJUFARLLBCMIAD-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-pyridinyl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

230.95311 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.960386 136.4
[M+Na]+ 253.942328 147.9
[M-H]- 229.945834 140.3
[M+NH4]+ 248.986933 155.9
[M+K]+ 269.916268 137.8
[M+H-H2O]+ 213.950370 136.1
[M+HCOO]- 275.951311 156.2
[M+CH3COO]- 289.966961 183.0
[M+Na-2H]- 251.927776 144.3
[M]+ 230.95256142 156.0
[M]- 230.95365858 156.0
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

patents stripe