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

3
Patents

266.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 160.1
[M+Na]+ 289.08352 165.7
[M-H]- 265.08702 165.2
[M+NH4]+ 284.12812 175.1
[M+K]+ 305.05746 161.7
[M+H-H2O]+ 249.09156 152.7
[M+HCOO]- 311.09250 180.2
[M+CH3COO]- 325.10815 195.9
[M+Na-2H]- 287.06897 161.8
[M]+ 266.09375 159.1
[M]- 266.09485 159.1
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

patents stripe