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

literature stripe

Patent stripe

patents stripe