CID 2966634

5-(4-chlorophenyl)-1-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

CN1C(=CC=C1C2=CC=C(C=C2)Cl)C=O

InChI

InChI=1S/C12H10ClNO/c1-14-11(8-15)6-7-12(14)9-2-4-10(13)5-3-9/h2-8H,1H3

InChIKey

DAQYSXUEFNMIPO-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-1-methylpyrrole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 219.04509 Da
Monoisotopic Mass: 2.7
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]+	220.052366	145.3
[M+Na]+	242.034308	156.7
[M-H]-	218.037814	151.4
[M+NH4]+	237.078913	165.6
[M+K]+	258.008248	151.3
[M+H-H2O]+	202.042350	138.9
[M+HCOO]-	264.043291	165.6
[M+CH3COO]-	278.058941	186.9
[M+Na-2H]-	240.019756	149.2
[M]+	219.04454142	148.9
[M]-	219.04563858	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.