CID 7115

P-terphenyl

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

335
References

44475
Patents

230.10954 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11682 151.7
[M+Na]+ 253.09876 158.9
[M-H]- 229.10226 161.2
[M+NH4]+ 248.14336 168.9
[M+K]+ 269.07270 153.3
[M+H-H2O]+ 213.10680 143.2
[M+HCOO]- 275.10774 176.0
[M+CH3COO]- 289.12339 164.5
[M+Na-2H]- 251.08421 159.4
[M]+ 230.10899 149.7
[M]- 230.11009 149.7
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