CID 53415801

1-acetyl-6-bromo-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₈BrNO₂

SMILES

CC(=O)N1C=C(C2=C1C=C(C=C2)Br)C=O

InChI

InChI=1S/C11H8BrNO2/c1-7(15)13-5-8(6-14)10-3-2-9(12)4-11(10)13/h2-6H,1H3

InChIKey

WCQCBNJTAANAJU-UHFFFAOYSA-N

Compound name

1-acetyl-6-bromoindole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.97385 Da
Monoisotopic Mass: 2.0
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]+	265.981126	148.2
[M+Na]+	287.963068	163.0
[M-H]-	263.966574	155.3
[M+NH4]+	283.007673	170.6
[M+K]+	303.937008	151.7
[M+H-H2O]+	247.971110	148.5
[M+HCOO]-	309.972051	170.2
[M+CH3COO]-	323.987701	192.9
[M+Na-2H]-	285.948516	154.6
[M]+	264.97330142	170.6
[M]-	264.97439858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.