CID 9170

Triphenylene

Structural Information

Molecular Formula
C18H12
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
InChIKey
SLGBZMMZGDRARJ-UHFFFAOYSA-N
Compound name
triphenylene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

168
References

66768
Patents

228.0939 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10118 148.9
[M+Na]+ 251.08312 168.8
[M+NH4]+ 246.12772 161.7
[M+K]+ 267.05706 157.0
[M-H]- 227.08662 156.1
[M+Na-2H]- 249.06857 160.3
[M]+ 228.09335 154.4
[M]- 228.09445 154.4
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