CID 86687

18247-80-8

Structural Information

Molecular Formula

C₉H₈ClN₃O₃

SMILES

CC(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H8ClN3O3/c1-6(14)9(10)12-11-7-2-4-8(5-3-7)13(15)16/h2-5,11H,1H3

InChIKey

FJTPZIFCLVITGT-UHFFFAOYSA-N

Compound name

N-(4-nitrophenyl)-2-oxopropanehydrazonoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 241.02542 Da
Monoisotopic Mass: 3.2
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]+	242.03270	147.5
[M+Na]+	264.01464	159.0
[M+NH4]+	259.05924	154.6
[M+K]+	279.98858	156.3
[M-H]-	240.01814	150.8
[M+Na-2H]-	262.00009	153.4
[M]+	241.02487	149.9
[M]-	241.02597	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe