CID 97046973

16077-60-4

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CC1=CC2=C(C(=C1)Br)NC=C2C=O

InChI

InChI=1S/C10H8BrNO/c1-6-2-8-7(5-13)4-12-10(8)9(11)3-6/h2-5,12H,1H3

InChIKey

NDPJQPZNSDSHJM-UHFFFAOYSA-N

Compound name

7-bromo-5-methyl-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.97893 Da
Monoisotopic Mass: 2.6
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]+	237.98621	145.2
[M+Na]+	259.96815	149.9
[M+NH4]+	255.01275	150.3
[M+K]+	275.94209	150.4
[M-H]-	235.97165	145.4
[M+Na-2H]-	257.95360	148.2
[M]+	236.97838	144.8
[M]-	236.97948	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.