CID 88955426

2-iodotriphenylene

Structural Information

Molecular Formula
C18H11I
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)I)C4=CC=CC=C24
InChI
InChI=1S/C18H11I/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKey
ZMZNYRZSJDYTIO-UHFFFAOYSA-N
Compound name
2-iodotriphenylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

353.99054 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.99782 151.7
[M+Na]+ 376.97976 155.4
[M-H]- 352.98326 150.8
[M+NH4]+ 372.02436 167.1
[M+K]+ 392.95370 154.7
[M+H-H2O]+ 336.98780 140.4
[M+HCOO]- 398.98874 168.6
[M+CH3COO]- 413.00439 160.9
[M+Na-2H]- 374.96521 151.6
[M]+ 353.98999 150.3
[M]- 353.99109 150.3
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