CID 43473209

2-(3-formylphenoxymethyl)benzoic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C(=C1)COC2=CC=CC(=C2)C=O)C(=O)O
InChI
InChI=1S/C15H12O4/c16-9-11-4-3-6-13(8-11)19-10-12-5-1-2-7-14(12)15(17)18/h1-9H,10H2,(H,17,18)
InChIKey
XYWDRAMPZDRXCG-UHFFFAOYSA-N
Compound name
2-[(3-formylphenoxy)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe