CID 11033016

2-iodo-5-methoxy-1h-indole

Structural Information

Molecular Formula
C9H8INO
SMILES
COC1=CC2=C(C=C1)NC(=C2)I
InChI
InChI=1S/C9H8INO/c1-12-7-2-3-8-6(4-7)5-9(10)11-8/h2-5,11H,1H3
InChIKey
ZAJMEADSVWEEQK-UHFFFAOYSA-N
Compound name
2-iodo-5-methoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.96506 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.97234 136.7
[M+Na]+ 295.95428 140.5
[M-H]- 271.95778 132.5
[M+NH4]+ 290.99888 153.7
[M+K]+ 311.92822 142.9
[M+H-H2O]+ 255.96232 127.5
[M+HCOO]- 317.96326 155.5
[M+CH3COO]- 331.97891 184.4
[M+Na-2H]- 293.93973 132.5
[M]+ 272.96451 135.9
[M]- 272.96561 135.9
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