CID 65499647

1-(2,6-dichlorophenyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₇Cl₂NO₂

SMILES

C1=CC(=C(C(=C1)Cl)N2C=CC=C2C(=O)O)Cl

InChI

InChI=1S/C11H7Cl2NO2/c12-7-3-1-4-8(13)10(7)14-6-2-5-9(14)11(15)16/h1-6H,(H,15,16)

InChIKey

UEFSRFPQTPSWMF-UHFFFAOYSA-N

Compound name

1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.98538 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]+	255.992656	150.3
[M+Na]+	277.974598	161.4
[M-H]-	253.978104	154.5
[M+NH4]+	273.019203	168.5
[M+K]+	293.948538	155.2
[M+H-H2O]+	237.982640	144.8
[M+HCOO]-	299.983581	163.4
[M+CH3COO]-	313.999231	188.9
[M+Na-2H]-	275.960046	152.3
[M]+	254.98483142	153.5
[M]-	254.98592858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe