CID 2735706

26494-58-6

Structural Information

Molecular Formula

C₁₀H₈ClNO₄

SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)O

InChI

InChI=1S/C10H8ClNO4/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8/h1-3H,4-5H2,(H,14,15)

InChIKey

CFZFARSJRUJYDY-UHFFFAOYSA-N

Compound name

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 241.01419 Da
Monoisotopic Mass: 1.3
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]+	242.02147	146.3
[M+Na]+	264.00341	159.6
[M+NH4]+	259.04801	153.6
[M+K]+	279.97735	154.5
[M-H]-	240.00691	147.9
[M+Na-2H]-	261.98886	150.1
[M]+	241.01364	148.7
[M]-	241.01474	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe