CID 13407347

3,6-diiodo-9-phenylcarbazole

Structural Information

Molecular Formula
C18H11I2N
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)I)C4=C2C=CC(=C4)I
InChI
InChI=1S/C18H11I2N/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
InChIKey
AWGAUYXFWGUFNE-UHFFFAOYSA-N
Compound name
3,6-diiodo-9-phenylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

494.8981 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.90538 167.2
[M+Na]+ 517.88732 163.5
[M-H]- 493.89082 161.3
[M+NH4]+ 512.93192 174.8
[M+K]+ 533.86126 168.9
[M+H-H2O]+ 477.89536 153.3
[M+HCOO]- 539.89630 178.2
[M+CH3COO]- 553.91195 170.9
[M+Na-2H]- 515.87277 156.6
[M]+ 494.89755 163.7
[M]- 494.89865 163.7
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