CID 6478998

2,4-dioxo-4-[2-[(e)-styryl]phenyl]butanoic acid

Structural Information

Molecular Formula
C18H14O4
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=CC=C2C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C18H14O4/c19-16(12-17(20)18(21)22)15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H,21,22)/b11-10+
InChIKey
BULUOMPQQXDCAH-ZHACJKMWSA-N
Compound name
2,4-dioxo-4-[2-[(E)-2-phenylethenyl]phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 166.8
[M+Na]+ 317.07842 172.2
[M-H]- 293.08192 171.7
[M+NH4]+ 312.12302 180.5
[M+K]+ 333.05236 168.1
[M+H-H2O]+ 277.08646 159.1
[M+HCOO]- 339.08740 187.0
[M+CH3COO]- 353.10305 199.6
[M+Na-2H]- 315.06387 168.0
[M]+ 294.08865 166.8
[M]- 294.08975 166.8
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.