CID 4167061

3,6-diiodo-9-ethylcarbazole

Structural Information

Molecular Formula
C14H11I2N
SMILES
CCN1C2=C(C=C(C=C2)I)C3=C1C=CC(=C3)I
InChI
InChI=1S/C14H11I2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
InChIKey
KMCBWMCQDXPDMI-UHFFFAOYSA-N
Compound name
9-ethyl-3,6-diiodocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

446.8981 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.90538 150.9
[M+Na]+ 469.88732 147.7
[M-H]- 445.89082 143.2
[M+NH4]+ 464.93192 160.9
[M+K]+ 485.86126 154.6
[M+H-H2O]+ 429.89536 138.8
[M+HCOO]- 491.89630 162.4
[M+CH3COO]- 505.91195 155.8
[M+Na-2H]- 467.87277 140.5
[M]+ 446.89755 148.9
[M]- 446.89865 148.9
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