CID 11266132

4-iodo-1-acetyl-7-azaindole

Structural Information

Molecular Formula
C9H7IN2O
SMILES
CC(=O)N1C=CC2=C(C=CN=C21)I
InChI
InChI=1S/C9H7IN2O/c1-6(13)12-5-3-7-8(10)2-4-11-9(7)12/h2-5H,1H3
InChIKey
SDDUGTXURCFAKQ-UHFFFAOYSA-N
Compound name
1-(4-iodopyrrolo[2,3-b]pyridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

285.9603 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96758 136.7
[M+Na]+ 308.94952 141.0
[M-H]- 284.95302 132.6
[M+NH4]+ 303.99412 152.5
[M+K]+ 324.92346 144.1
[M+H-H2O]+ 268.95756 126.6
[M+HCOO]- 330.95850 155.0
[M+CH3COO]- 344.97415 188.8
[M+Na-2H]- 306.93497 132.1
[M]+ 285.95975 136.9
[M]- 285.96085 136.9
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