CID 2734

6-hydroxychlorzoxazone

Structural Information

Molecular Formula

C₇H₄ClNO₃

SMILES

C1=C2C(=CC(=C1Cl)O)OC(=O)N2

InChI

InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)

InChIKey

AGLXDWOTVQZHIQ-UHFFFAOYSA-N

Compound name

5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 96
References: 241
Patents: 184.98798 Da
Monoisotopic Mass: 1.4
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]+	185.99526	129.6
[M+Na]+	207.97720	144.5
[M+NH4]+	203.02180	137.9
[M+K]+	223.95114	140.9
[M-H]-	183.98070	131.4
[M+Na-2H]-	205.96265	135.2
[M]+	184.98743	132.5
[M]-	184.98853	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe