CID 6309970

Nsc 78

Structural Information

Molecular Formula
C17H14O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C(/C2=CC=CC=C2)\O
InChI
InChI=1S/C17H14O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-13,19H/b12-11+,17-13-
InChIKey
OUECHAOENUZVPS-VBEVGYOXSA-N
Compound name
(1Z,4E)-1-hydroxy-1,5-diphenylpenta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 158.2
[M+Na]+ 273.08860 163.5
[M-H]- 249.09210 162.9
[M+NH4]+ 268.13320 173.9
[M+K]+ 289.06254 158.3
[M+H-H2O]+ 233.09664 150.8
[M+HCOO]- 295.09758 179.2
[M+CH3COO]- 309.11323 190.4
[M+Na-2H]- 271.07405 161.8
[M]+ 250.09883 155.8
[M]- 250.09993 155.8
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