CID 154728943

7-bromo-3-iodo-1-methyl-1h-pyrazolo[4,3-c]pyridine

Structural Information

Molecular Formula
C7H5BrIN3
SMILES
CN1C2=C(C=NC=C2C(=N1)I)Br
InChI
InChI=1S/C7H5BrIN3/c1-12-6-4(7(9)11-12)2-10-3-5(6)8/h2-3H,1H3
InChIKey
QTRIXTIOUXHITB-UHFFFAOYSA-N
Compound name
7-bromo-3-iodo-1-methylpyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.87115 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.87843 136.8
[M+Na]+ 359.86037 146.1
[M-H]- 335.86387 135.0
[M+NH4]+ 354.90497 153.7
[M+K]+ 375.83431 140.9
[M+H-H2O]+ 319.86841 133.0
[M+HCOO]- 381.86935 153.4
[M+CH3COO]- 395.88500 149.3
[M+Na-2H]- 357.84582 135.6
[M]+ 336.87060 154.9
[M]- 336.87170 154.9
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

No patent data available for this compound.