CID 29971363

7-amino-5-chloro-2(3h)-benzoxazolone

Structural Information

Molecular Formula

C₇H₅ClN₂O₂

SMILES

C1=C(C=C2C(=C1N)OC(=O)N2)Cl

InChI

InChI=1S/C7H5ClN2O2/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,9H2,(H,10,11)

InChIKey

KFRHLRRYYDOKGV-UHFFFAOYSA-N

Compound name

7-amino-5-chloro-3H-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 184.00395 Da
Monoisotopic Mass: 1.1
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]+	185.01123	130.8
[M+Na]+	206.99317	145.1
[M+NH4]+	202.03777	139.3
[M+K]+	222.96711	141.2
[M-H]-	182.99667	133.6
[M+Na-2H]-	204.97862	136.6
[M]+	184.00340	133.8
[M]-	184.00450	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe