CID 79676

2,2-diphenylpropionic acid

Structural Information

Molecular Formula
C15H14O2
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)
InChIKey
ODELFXJUOVNEFZ-UHFFFAOYSA-N
Compound name
2,2-diphenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2511
Patents

226.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 150.3
[M+Na]+ 249.088598 156.5
[M-H]- 225.092104 155.6
[M+NH4]+ 244.133203 167.2
[M+K]+ 265.062538 152.9
[M+H-H2O]+ 209.096640 143.7
[M+HCOO]- 271.097581 171.0
[M+CH3COO]- 285.113231 186.9
[M+Na-2H]- 247.074046 157.0
[M]+ 226.09883142 149.0
[M]- 226.09992858 149.0
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