CID 57443579

1198277-84-7

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

CN1C=C(C2=C(C=CN=C21)Br)C=O

InChI

InChI=1S/C9H7BrN2O/c1-12-4-6(5-13)8-7(10)2-3-11-9(8)12/h2-5H,1H3

InChIKey

CALYOWUXGXUCGC-UHFFFAOYSA-N

Compound name

4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.97418 Da
Monoisotopic Mass: 1.4
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]+	238.98146	139.9
[M+Na]+	260.96340	155.7
[M-H]-	236.96690	145.9
[M+NH4]+	256.00800	162.3
[M+K]+	276.93734	144.4
[M+H-H2O]+	220.97144	139.9
[M+HCOO]-	282.97238	162.1
[M+CH3COO]-	296.98803	188.5
[M+Na-2H]-	258.94885	148.5
[M]+	237.97363	162.2
[M]-	237.97473	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe