CID 5376733

1,6-diphenylhexa-1,3,5-triene

Structural Information

Molecular Formula
C18H16
SMILES
C1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+
InChIKey
BOBLSBAZCVBABY-WPWUJOAOSA-N
Compound name
[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1011
References

3380
Patents

232.1252 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13248 154.9
[M+Na]+ 255.11442 161.1
[M-H]- 231.11792 160.7
[M+NH4]+ 250.15902 172.4
[M+K]+ 271.08836 154.3
[M+H-H2O]+ 215.12246 147.3
[M+HCOO]- 277.12340 178.7
[M+CH3COO]- 291.13905 189.8
[M+Na-2H]- 253.09987 160.9
[M]+ 232.12465 153.0
[M]- 232.12575 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.