CID 23274142

89894-13-3

Structural Information

Molecular Formula

C₈H₆ClNO₅

SMILES

C1=CC(=C(C=C1OCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H6ClNO5/c9-6-2-1-5(15-4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)

InChIKey

NNDWXLRSQALFKC-UHFFFAOYSA-N

Compound name

2-(4-chloro-3-nitrophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 230.99345 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]+	232.00073	141.4
[M+Na]+	253.98267	154.3
[M+NH4]+	249.02727	148.3
[M+K]+	269.95661	152.2
[M-H]-	229.98617	142.8
[M+Na-2H]-	251.96812	146.5
[M]+	230.99290	143.6
[M]-	230.99400	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe