CID 5708783

6-phenylhexa-3,5-dien-2-one

Structural Information

Molecular Formula
C12H12O
SMILES
CC(=O)/C=C/C=C/C1=CC=CC=C1
InChI
InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6+
InChIKey
PRNUCJKOERXADE-YLNKAEQOSA-N
Compound name
(3E,5E)-6-phenylhexa-3,5-dien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

133
Patents

172.08882 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 139.3
[M+Na]+ 195.07804 152.2
[M+NH4]+ 190.12264 147.7
[M+K]+ 211.05198 144.3
[M-H]- 171.08154 141.3
[M+Na-2H]- 193.06349 146.2
[M]+ 172.08827 141.6
[M]- 172.08937 141.6
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