CID 11550874

4-chloro-3-iodo-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C7H4ClIN2
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)I
InChI
InChI=1S/C7H4ClIN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
InChIKey
IDEYYMSXMIFGMV-UHFFFAOYSA-N
Compound name
4-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

277.91077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.918046 130.2
[M+Na]+ 300.899988 135.7
[M-H]- 276.903494 124.6
[M+NH4]+ 295.944593 146.5
[M+K]+ 316.873928 136.2
[M+H-H2O]+ 260.908030 121.0
[M+HCOO]- 322.908971 143.9
[M+CH3COO]- 336.924621 140.5
[M+Na-2H]- 298.885436 126.9
[M]+ 277.91022142 129.7
[M]- 277.91131858 129.7
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

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