CID 7076

M-terphenyl

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

33
References

26347
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 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