CID 15742

1-ethyl-2-phenylbenzene

Structural Information

Molecular Formula
C14H14
SMILES
CCC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C14H14/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13/h3-11H,2H2,1H3
InChIKey
DLMYHUARHITGIJ-UHFFFAOYSA-N
Compound name
1-ethyl-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1954
Patents

182.10954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11682 140.4
[M+Na]+ 205.09876 156.9
[M+NH4]+ 200.14336 151.2
[M+K]+ 221.07270 147.3
[M-H]- 181.10226 146.7
[M+Na-2H]- 203.08421 152.1
[M]+ 182.10899 144.9
[M]- 182.11009 144.9
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