CID 7647

1,2-diphenylethane

Structural Information

Molecular Formula
C14H14
SMILES
C1=CC=C(C=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
QWUWMCYKGHVNAV-UHFFFAOYSA-N
Compound name
2-phenylethylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

150
References

50953
Patents

182.10954 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11682 139.3
[M+Na]+ 205.09876 146.0
[M-H]- 181.10226 145.7
[M+NH4]+ 200.14336 158.9
[M+K]+ 221.07270 142.2
[M+H-H2O]+ 165.10680 132.3
[M+HCOO]- 227.10774 163.8
[M+CH3COO]- 241.12339 152.7
[M+Na-2H]- 203.08421 147.6
[M]+ 182.10899 138.4
[M]- 182.11009 138.4
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

No patent data available for this compound.