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]+ 244.94757 139.3
[M+Na]+ 266.92951 156.3
[M-H]- 242.93301 145.1
[M+NH4]+ 261.97411 162.4
[M+K]+ 282.90345 143.4
[M+H-H2O]+ 226.93755 139.9
[M+HCOO]- 288.93849 156.9
[M+CH3COO]- 302.95414 156.0
[M+Na-2H]- 264.91496 148.0
[M]+ 243.93974 162.2
[M]- 243.94084 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.