CID 6443801

Cinfenoac

Structural Information

Molecular Formula
C18H14O6
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)O)C(=O)O
InChI
InChI=1S/C18H14O6/c19-16(10-3-12-1-4-14(5-2-12)18(22)23)13-6-8-15(9-7-13)24-11-17(20)21/h1-10H,11H2,(H,20,21)(H,22,23)/b10-3+
InChIKey
HXSSCTOWBWPFEV-XCVCLJGOSA-N
Compound name
4-[(E)-3-[4-(carboxymethoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

326.07904 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08632 172.1
[M+Na]+ 349.06826 177.5
[M-H]- 325.07176 175.9
[M+NH4]+ 344.11286 183.8
[M+K]+ 365.04220 174.1
[M+H-H2O]+ 309.07630 164.3
[M+HCOO]- 371.07724 191.0
[M+CH3COO]- 385.09289 202.9
[M+Na-2H]- 347.05371 172.4
[M]+ 326.07849 173.5
[M]- 326.07959 173.5
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.