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 155.0
[M+Na]+ 279.06277 162.5
[M-H]- 255.06627 160.6
[M+NH4]+ 274.10737 170.8
[M+K]+ 295.03671 159.2
[M+H-H2O]+ 239.07081 147.5
[M+HCOO]- 301.07175 177.7
[M+CH3COO]- 315.08740 192.2
[M+Na-2H]- 277.04822 159.5
[M]+ 256.07300 157.0
[M]- 256.07410 157.0
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

patents stripe