CID 81123

5-chloro-2-nitrobenzaldehyde

Structural Information

Molecular Formula

C₇H₄ClNO₃

SMILES

C1=CC(=C(C=C1Cl)C=O)[N+](=O)[O-]

InChI

InChI=1S/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H

InChIKey

SWGPIDCNYAYXMJ-UHFFFAOYSA-N

Compound name

5-chloro-2-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1177
Patents: 184.98798 Da
Monoisotopic Mass: 1.9
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]+	185.99526	131.0
[M+Na]+	207.97720	146.1
[M+NH4]+	203.02180	139.8
[M+K]+	223.95114	142.0
[M-H]-	183.98070	134.3
[M+Na-2H]-	205.96265	138.3
[M]+	184.98743	134.3
[M]-	184.98853	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe