CID 2777016

175136-79-5

Structural Information

Molecular Formula

C₁₁H₇Cl₂NO

SMILES

C1=CN(C(=C1)C=O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C11H7Cl2NO/c12-8-4-9(13)6-11(5-8)14-3-1-2-10(14)7-15/h1-7H

InChIKey

GNBDQGBCNPLAQK-UHFFFAOYSA-N

Compound name

1-(3,5-dichlorophenyl)pyrrole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 238.99046 Da
Monoisotopic Mass: 3.4
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]+	239.997736	148.0
[M+Na]+	261.979678	159.9
[M-H]-	237.983184	153.3
[M+NH4]+	257.024283	167.6
[M+K]+	277.953618	153.5
[M+H-H2O]+	221.987720	142.0
[M+HCOO]-	283.988661	163.2
[M+CH3COO]-	298.004311	161.6
[M+Na-2H]-	259.965126	151.4
[M]+	238.98991142	152.1
[M]-	238.99100858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe