CID 3635564

3223-77-6

Structural Information

Molecular Formula

C₉H₉ClN₂O₄

SMILES

COC1=CC(=C(C=C1)NC(=O)CCl)[N+](=O)[O-]

InChI

InChI=1S/C9H9ClN2O4/c1-16-6-2-3-7(11-9(13)5-10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)

InChIKey

VXMOZGZTQMIRJA-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methoxy-2-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.02509 Da
Monoisotopic Mass: 1.7
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]+	245.03237	147.2
[M+Na]+	267.01431	159.7
[M+NH4]+	262.05891	154.4
[M+K]+	282.98825	156.9
[M-H]-	243.01781	149.8
[M+Na-2H]-	264.99976	152.7
[M]+	244.02454	149.7
[M]-	244.02564	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe