CID 11918

1,1-diphenylethane

Structural Information

Molecular Formula
C14H14
SMILES
CC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
BSZXAFXFTLXUFV-UHFFFAOYSA-N
Compound name
1-phenylethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

11731
Patents

182.10954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11682 141.0
[M+Na]+ 205.09876 156.8
[M+NH4]+ 200.14336 151.7
[M+K]+ 221.07270 147.7
[M-H]- 181.10226 147.1
[M+Na-2H]- 203.08421 152.6
[M]+ 182.10899 145.3
[M]- 182.11009 145.3
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