CID 72213586

5-chloro-3-iodo-1h-pyrazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C6H3ClIN3
SMILES
C1=C(N=CC2=NNC(=C21)I)Cl
InChI
InChI=1S/C6H3ClIN3/c7-5-1-3-4(2-9-5)10-11-6(3)8/h1-2H,(H,10,11)
InChIKey
KAGKORFWYBVTEW-UHFFFAOYSA-N
Compound name
5-chloro-3-iodo-2H-pyrazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

278.906 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.91328 128.2
[M+Na]+ 301.89522 134.1
[M-H]- 277.89872 121.4
[M+NH4]+ 296.93982 143.2
[M+K]+ 317.86916 134.8
[M+H-H2O]+ 261.90326 118.2
[M+HCOO]- 323.90420 140.9
[M+CH3COO]- 337.91985 138.3
[M+Na-2H]- 299.88067 125.6
[M]+ 278.90545 127.8
[M]- 278.90655 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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