CID 348329

4,4-diphenyl-3-butenoic acid

Structural Information

Molecular Formula
C16H14O2
SMILES
C1=CC=C(C=C1)C(=CCC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c17-16(18)12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2,(H,17,18)
InChIKey
MGPHWSQUSKFMKT-UHFFFAOYSA-N
Compound name
4,4-diphenylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

238.09938 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 154.6
[M+Na]+ 261.08860 159.9
[M-H]- 237.09210 159.4
[M+NH4]+ 256.13320 170.8
[M+K]+ 277.06254 155.5
[M+H-H2O]+ 221.09664 147.3
[M+HCOO]- 283.09758 175.6
[M+CH3COO]- 297.11323 188.9
[M+Na-2H]- 259.07405 158.7
[M]+ 238.09883 152.6
[M]- 238.09993 152.6
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