CID 2782313

5-iodo-1h-indole

Structural Information

Molecular Formula
C8H6IN
SMILES
C1=CC2=C(C=CN2)C=C1I
InChI
InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey
TVQLYTUWUQMGMP-UHFFFAOYSA-N
Compound name
5-iodo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

706
Patents

242.9545 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96178 127.9
[M+Na]+ 265.94372 131.4
[M-H]- 241.94722 123.5
[M+NH4]+ 260.98832 145.8
[M+K]+ 281.91766 133.5
[M+H-H2O]+ 225.95176 118.9
[M+HCOO]- 287.95270 146.9
[M+CH3COO]- 301.96835 138.5
[M+Na-2H]- 263.92917 125.0
[M]+ 242.95395 125.1
[M]- 242.95505 125.1
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