CID 130980903

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

Structural Information

Molecular Formula
C8H6BrClN2
SMILES
CN1C=C(C2=C(C=CN=C21)Cl)Br
InChI
InChI=1S/C8H6BrClN2/c1-12-4-5(9)7-6(10)2-3-11-8(7)12/h2-4H,1H3
InChIKey
HMSABIHWTSDRJF-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-1-methylpyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.94029 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.947566 139.3
[M+Na]+ 266.929508 156.3
[M-H]- 242.933014 145.1
[M+NH4]+ 261.974113 162.4
[M+K]+ 282.903448 143.4
[M+H-H2O]+ 226.937550 139.9
[M+HCOO]- 288.938491 156.9
[M+CH3COO]- 302.954141 156.0
[M+Na-2H]- 264.914956 148.0
[M]+ 243.93974142 162.2
[M]- 243.94083858 162.2
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.