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

18700
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 139.6
[M+Na]+ 205.09876 146.1
[M-H]- 181.10226 146.1
[M+NH4]+ 200.14336 159.2
[M+K]+ 221.07270 142.7
[M+H-H2O]+ 165.10680 132.8
[M+HCOO]- 227.10774 163.1
[M+CH3COO]- 241.12339 183.1
[M+Na-2H]- 203.08421 146.7
[M]+ 182.10899 138.1
[M]- 182.11009 138.1
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