CID 18548569

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

215.05824 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe