CID 227256

2,2-diphenylpent-4-enoic acid

Structural Information

Molecular Formula
C17H16O2
SMILES
C=CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H16O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2,(H,18,19)
InChIKey
BLRSCYRFTSBWIH-UHFFFAOYSA-N
Compound name
2,2-diphenylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

252.11504 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 158.5
[M+Na]+ 275.10426 164.0
[M-H]- 251.10776 163.3
[M+NH4]+ 270.14886 174.2
[M+K]+ 291.07820 159.4
[M+H-H2O]+ 235.11230 151.4
[M+HCOO]- 297.11324 178.6
[M+CH3COO]- 311.12889 192.0
[M+Na-2H]- 273.08971 164.0
[M]+ 252.11449 157.1
[M]- 252.11559 157.1
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