CID 2763568

855423-33-5

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CN=C(N=C1)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H8N2O3/c14-10(15)8-2-4-9(5-3-8)16-11-12-6-1-7-13-11/h1-7H,(H,14,15)
InChIKey
UCMUIXMNKTUUEV-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

216.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.060776 144.0
[M+Na]+ 239.042718 152.2
[M-H]- 215.046224 147.0
[M+NH4]+ 234.087323 158.6
[M+K]+ 255.016658 149.3
[M+H-H2O]+ 199.050760 135.4
[M+HCOO]- 261.051701 165.1
[M+CH3COO]- 275.067351 183.2
[M+Na-2H]- 237.028166 151.5
[M]+ 216.05295142 144.5
[M]- 216.05404858 144.5
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