CID 45789718

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

Structural Information

Molecular Formula

C₇H₅BrN₂O

SMILES

C1C2=C(C=CN=C2NC1=O)Br

InChI

InChI=1S/C7H5BrN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)

InChIKey

CVHDUJPKUBAWBD-UHFFFAOYSA-N

Compound name

4-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 211.95853 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe