CID 519378

1726-14-3

Structural Information

Molecular Formula
C16H16
SMILES
CCC=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-13H,2H2,1H3
InChIKey
FKDKAGHZAOFATR-UHFFFAOYSA-N
Compound name
1-phenylbut-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

104
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 148.1
[M+Na]+ 231.11442 154.0
[M-H]- 207.11792 154.2
[M+NH4]+ 226.15902 166.5
[M+K]+ 247.08836 149.4
[M+H-H2O]+ 191.12246 140.8
[M+HCOO]- 253.12340 171.0
[M+CH3COO]- 267.13905 187.6
[M+Na-2H]- 229.09987 153.9
[M]+ 208.12465 146.4
[M]- 208.12575 146.4
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