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]+ 278.91805 130.2
[M+Na]+ 300.89999 135.7
[M-H]- 276.90349 124.6
[M+NH4]+ 295.94459 146.5
[M+K]+ 316.87393 136.2
[M+H-H2O]+ 260.90803 121.0
[M+HCOO]- 322.90897 143.9
[M+CH3COO]- 336.92462 140.5
[M+Na-2H]- 298.88544 126.9
[M]+ 277.91022 129.7
[M]- 277.91132 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

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Patent stripe

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