CID 4484926

380594-11-6

Structural Information

Molecular Formula

C₁₁H₅Cl₂NO₄

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)C(=O)Cl

InChI

InChI=1S/C11H5Cl2NO4/c12-8-5-6(14(16)17)1-2-7(8)9-3-4-10(18-9)11(13)15/h1-5H

InChIKey

BQTYBZIOLAXUSL-UHFFFAOYSA-N

Compound name

5-(2-chloro-4-nitrophenyl)furan-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 284.95956 Da
Monoisotopic Mass: 3.9
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]+	285.96684	160.3
[M+Na]+	307.94878	169.5
[M-H]-	283.95228	167.4
[M+NH4]+	302.99338	176.7
[M+K]+	323.92272	161.9
[M+H-H2O]+	267.95682	160.2
[M+HCOO]-	329.95776	176.1
[M+CH3COO]-	343.97341	190.2
[M+Na-2H]-	305.93423	164.5
[M]+	284.95901	164.4
[M]-	284.96011	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe