CID 6766

O-terphenyl

Structural Information

Molecular Formula
C18H14
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H
InChIKey
OIAQMFOKAXHPNH-UHFFFAOYSA-N
Compound name
1,2-diphenylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

73
References

16221
Patents

230.10954 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11682 153.8
[M+Na]+ 253.09876 172.4
[M+NH4]+ 248.14336 165.1
[M+K]+ 269.07270 161.3
[M-H]- 229.10226 162.8
[M+Na-2H]- 251.08421 168.5
[M]+ 230.10899 159.5
[M]- 230.11009 159.5
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