CID 519286

2,4-diphenyl-1-butene

Structural Information

Molecular Formula
C16H16
SMILES
C=C(CCC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2
InChIKey
PWSZACWUDDFZMQ-UHFFFAOYSA-N
Compound name
3-phenylbut-3-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

213
Patents

208.1252 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13248 147.8
[M+Na]+ 231.11442 153.7
[M-H]- 207.11792 153.9
[M+NH4]+ 226.15902 166.2
[M+K]+ 247.08836 149.1
[M+H-H2O]+ 191.12246 140.5
[M+HCOO]- 253.12340 170.8
[M+CH3COO]- 267.13905 188.2
[M+Na-2H]- 229.09987 153.7
[M]+ 208.12465 146.3
[M]- 208.12575 146.3
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