CID 75176255

1382774-60-8

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CN1C(=CC2=C1C=C(C=C2)Br)C=O

InChI

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

InChIKey

VJGLQRJZOPPFPO-UHFFFAOYSA-N

Compound name

6-bromo-1-methylindole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 236.97893 Da
Monoisotopic Mass: 2.5
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]+	237.986206	141.5
[M+Na]+	259.968148	156.9
[M-H]-	235.971654	148.6
[M+NH4]+	255.012753	165.2
[M+K]+	275.942088	145.4
[M+H-H2O]+	219.976190	142.0
[M+HCOO]-	281.977131	164.5
[M+CH3COO]-	295.992781	188.8
[M+Na-2H]-	257.953596	149.5
[M]+	236.97838142	163.6
[M]-	236.97947858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe