CID 2060608

Dtxsid101281785

Structural Information

Molecular Formula

C₇H₅ClN₂O₃

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C=NO)Cl

InChI

InChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H

InChIKey

BCVYAFHZIZEYLS-UHFFFAOYSA-N

Compound name

N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 199.99887 Da
Monoisotopic Mass: 2.2
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]+	201.006146	136.6
[M+Na]+	222.988088	145.4
[M-H]-	198.991594	140.7
[M+NH4]+	218.032693	155.8
[M+K]+	238.962028	138.3
[M+H-H2O]+	182.996130	136.6
[M+HCOO]-	244.997071	159.8
[M+CH3COO]-	259.012721	177.7
[M+Na-2H]-	220.973536	145.0
[M]+	199.99832142	137.4
[M]-	199.99941858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe