CID 209158

F 1377

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

C=C(CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H14O3/c1-12(17(19)20)11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,1,11H2,(H,19,20)

InChIKey

GBXLMGPBHVCAJI-UHFFFAOYSA-N

Compound name

2-methylidene-4-oxo-4-(4-phenylphenyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 266.0943 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.101576	160.1
[M+Na]+	289.083518	165.7
[M-H]-	265.087024	165.2
[M+NH4]+	284.128123	175.1
[M+K]+	305.057458	161.7
[M+H-H2O]+	249.091560	152.7
[M+HCOO]-	311.092501	180.2
[M+CH3COO]-	325.108151	195.9
[M+Na-2H]-	287.068966	161.8
[M]+	266.09375142	159.1
[M]-	266.09484858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe