CID 11826

3,3-diphenylacrylic acid

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C(=CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKey
WMJBVALTYVXGHW-UHFFFAOYSA-N
Compound name
3,3-diphenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7258
Patents

224.08372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 149.9
[M+Na]+ 247.07294 155.7
[M-H]- 223.07644 154.9
[M+NH4]+ 242.11754 166.7
[M+K]+ 263.04688 151.5
[M+H-H2O]+ 207.08098 142.8
[M+HCOO]- 269.08192 171.3
[M+CH3COO]- 283.09757 185.9
[M+Na-2H]- 245.05839 154.6
[M]+ 224.08317 147.6
[M]- 224.08427 147.6
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