CID 17859889

Tris[2-(4-n-hexylphenyl)quinoline)]iridium(iii)

Structural Information

Molecular Formula
C21H23N
SMILES
CCCCCCC1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C21H23N/c1-2-3-4-5-8-17-11-13-19(14-12-17)21-20-10-7-6-9-18(20)15-16-22-21/h6-7,9-16H,2-5,8H2,1H3
InChIKey
KJFRIHBKWUEOPL-UHFFFAOYSA-N
Compound name
1-(4-hexylphenyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

783
Patents

289.18304 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19032 171.7
[M+Na]+ 312.17226 178.5
[M-H]- 288.17576 177.0
[M+NH4]+ 307.21686 186.8
[M+K]+ 328.14620 171.8
[M+H-H2O]+ 272.18030 162.0
[M+HCOO]- 334.18124 192.0
[M+CH3COO]- 348.19689 182.4
[M+Na-2H]- 310.15771 177.5
[M]+ 289.18249 172.9
[M]- 289.18359 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe