CID 11207253

3-iodo-1h-indole

Structural Information

Molecular Formula
C8H6IN
SMILES
C1=CC=C2C(=C1)C(=CN2)I
InChI
InChI=1S/C8H6IN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey
FQVDXLYJTMHMCG-UHFFFAOYSA-N
Compound name
3-iodo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

466
Patents

242.9545 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96178 131.3
[M+Na]+ 265.94372 137.8
[M+NH4]+ 260.98832 136.8
[M+K]+ 281.91766 135.6
[M-H]- 241.94722 127.4
[M+Na-2H]- 263.92917 126.6
[M]+ 242.95395 130.1
[M]- 242.95505 130.1
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