CID 882936

4-[(4-formylphenoxy)methyl]benzoic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C=O)C(=O)O
InChI
InChI=1S/C15H12O4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2,(H,17,18)
InChIKey
ZKWZTMPNUCKOTL-UHFFFAOYSA-N
Compound name
4-[(4-formylphenoxy)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

256.07355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 156.4
[M+Na]+ 279.06277 170.2
[M+NH4]+ 274.10737 163.6
[M+K]+ 295.03671 163.6
[M-H]- 255.06627 159.4
[M+Na-2H]- 277.04822 164.5
[M]+ 256.07300 159.1
[M]- 256.07410 159.1
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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