CID 165639589

2742653-13-8

Structural Information

Molecular Formula
C8H6BrClN2O
SMILES
C1CN(C2=C1C=C(C=N2)Br)C(=O)Cl
InChI
InChI=1S/C8H6BrClN2O/c9-6-3-5-1-2-12(8(10)13)7(5)11-4-6/h3-4H,1-2H2
InChIKey
IUKQAMPLASPWSG-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9352 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.94248 145.2
[M+Na]+ 282.92442 159.3
[M-H]- 258.92792 150.2
[M+NH4]+ 277.96902 167.1
[M+K]+ 298.89836 147.1
[M+H-H2O]+ 242.93246 145.5
[M+HCOO]- 304.93340 159.5
[M+CH3COO]- 318.94905 160.3
[M+Na-2H]- 280.90987 151.5
[M]+ 259.93465 165.1
[M]- 259.93575 165.1
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.