CID 3116488

3,6-diiodo-9h-carbazole

Structural Information

Molecular Formula
C12H7I2N
SMILES
C1=CC2=C(C=C1I)C3=C(N2)C=CC(=C3)I
InChI
InChI=1S/C12H7I2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey
PECAOKZHORDWAI-UHFFFAOYSA-N
Compound name
3,6-diiodo-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

228
Patents

418.8668 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.87408 145.1
[M+Na]+ 441.85602 141.5
[M-H]- 417.85952 136.3
[M+NH4]+ 436.90062 155.2
[M+K]+ 457.82996 148.1
[M+H-H2O]+ 401.86406 133.3
[M+HCOO]- 463.86500 155.9
[M+CH3COO]- 477.88065 149.8
[M+Na-2H]- 439.84147 135.7
[M]+ 418.86625 140.8
[M]- 418.86735 140.8
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