CID 7946180

4-(3-(4-hydroxyphenyl)-3-oxoprop-1-en-1-yl)benzoic acid

Structural Information

Molecular Formula
C16H12O4
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C16H12O4/c17-14-8-6-12(7-9-14)15(18)10-3-11-1-4-13(5-2-11)16(19)20/h1-10,17H,(H,19,20)/b10-3+
InChIKey
DGDPABAKVCEIJE-XCVCLJGOSA-N
Compound name
4-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

268.07355 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 158.9
[M+Na]+ 291.06277 165.7
[M-H]- 267.06627 163.2
[M+NH4]+ 286.10737 173.5
[M+K]+ 307.03671 161.3
[M+H-H2O]+ 251.07081 151.9
[M+HCOO]- 313.07175 179.1
[M+CH3COO]- 327.08740 192.3
[M+Na-2H]- 289.04822 161.2
[M]+ 268.07300 158.1
[M]- 268.07410 158.1
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

No patent data available for this compound.