CID 64798

3,3-diphenylpropionic acid

Structural Information

Molecular Formula
C15H14O2
SMILES
C1=CC=C(C=C1)C(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)
InChIKey
BZQGAPWJKAYCHR-UHFFFAOYSA-N
Compound name
3,3-diphenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1803
Patents

226.09938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 150.9
[M+Na]+ 249.088598 156.3
[M-H]- 225.092104 155.8
[M+NH4]+ 244.133203 167.6
[M+K]+ 265.062538 152.7
[M+H-H2O]+ 209.096640 143.7
[M+HCOO]- 271.097581 172.1
[M+CH3COO]- 285.113231 187.4
[M+Na-2H]- 247.074046 155.5
[M]+ 226.09883142 149.3
[M]- 226.09992858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe