CID 17571617

99074-37-0

Structural Information

Molecular Formula

C₁₀H₈ClNO₄

SMILES

C1C(=O)OC2=C(N1CC(=O)O)C=C(C=C2)Cl

InChI

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

InChIKey

SRDGDNUEKOXTSF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.01419 Da
Monoisotopic Mass: 1.8
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]+	242.021466	145.6
[M+Na]+	264.003408	155.2
[M-H]-	240.006914	148.3
[M+NH4]+	259.048013	161.9
[M+K]+	279.977348	152.5
[M+H-H2O]+	224.011450	140.0
[M+HCOO]-	286.012391	158.8
[M+CH3COO]-	300.028041	187.5
[M+Na-2H]-	261.988856	151.4
[M]+	241.01364142	148.1
[M]-	241.01473858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe