CID 59878985

Atsczmxecprpea-uhfffaoysa-n

Structural Information

Molecular Formula
C18H20
SMILES
CC(C=CC(C)C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H20/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKey
ATSCZMXECPRPEA-UHFFFAOYSA-N
Compound name
5-phenylhex-3-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.1565 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.163776 157.5
[M+Na]+ 259.145718 162.3
[M-H]- 235.149224 163.3
[M+NH4]+ 254.190323 174.7
[M+K]+ 275.119658 157.7
[M+H-H2O]+ 219.153760 149.9
[M+HCOO]- 281.154701 178.8
[M+CH3COO]- 295.170351 194.4
[M+Na-2H]- 257.131166 161.0
[M]+ 236.15595142 156.0
[M]- 236.15704858 156.0
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

patents stripe