CID 49761625

5-bromo-2-ethyl-3-iodo-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C9H8BrIN2
SMILES
CCC1=C(C2=C(N1)N=CC(=C2)Br)I
InChI
InChI=1S/C9H8BrIN2/c1-2-7-8(11)6-3-5(10)4-12-9(6)13-7/h3-4H,2H2,1H3,(H,12,13)
InChIKey
GMOQJMWSCLYUJQ-UHFFFAOYSA-N
Compound name
5-bromo-2-ethyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

349.89157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.89885 146.6
[M+Na]+ 372.88079 154.6
[M-H]- 348.88429 144.4
[M+NH4]+ 367.92539 163.4
[M+K]+ 388.85473 148.1
[M+H-H2O]+ 332.88883 143.1
[M+HCOO]- 394.88977 162.1
[M+CH3COO]- 408.90542 158.0
[M+Na-2H]- 370.86624 143.5
[M]+ 349.89102 163.0
[M]- 349.89212 163.0
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

patents stripe