CID 53423981

2-(pyridin-4-yloxy)benzoic acid hydrochloride

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C(=C1)C(=O)O)OC2=CC=NC=C2
InChI
InChI=1S/C12H9NO3/c14-12(15)10-3-1-2-4-11(10)16-9-5-7-13-8-6-9/h1-8H,(H,14,15)
InChIKey
NDVHHTOLGZMAOK-UHFFFAOYSA-N
Compound name
2-pyridin-4-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05824 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.1
[M+Na]+ 238.04746 151.9
[M-H]- 214.05096 148.4
[M+NH4]+ 233.09206 160.1
[M+K]+ 254.02140 148.9
[M+H-H2O]+ 198.05550 136.2
[M+HCOO]- 260.05644 166.2
[M+CH3COO]- 274.07209 183.4
[M+Na-2H]- 236.03291 151.0
[M]+ 215.05769 144.4
[M]- 215.05879 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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