CID 46941641

6-bromo-1,3-dihydro-2h-pyrrolo[3,2-b]pyridin-2-one

Structural Information

Molecular Formula
C7H5BrN2O
SMILES
C1C2=C(C=C(C=N2)Br)NC1=O
InChI
InChI=1S/C7H5BrN2O/c8-4-1-6-5(9-3-4)2-7(11)10-6/h1,3H,2H2,(H,10,11)
InChIKey
XRHPMEPZCXLPSM-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

211.95853 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.965806 135.6
[M+Na]+ 234.947748 149.0
[M-H]- 210.951254 139.5
[M+NH4]+ 229.992353 157.8
[M+K]+ 250.921688 137.6
[M+H-H2O]+ 194.955790 135.8
[M+HCOO]- 256.956731 154.2
[M+CH3COO]- 270.972381 150.8
[M+Na-2H]- 232.933196 143.5
[M]+ 211.95798142 152.4
[M]- 211.95907858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe