CID 517535

63497-60-9

Structural Information

Molecular Formula

C₈H₄ClNO₃

SMILES

C1=CC2=C(C(=C1)Cl)NC(=O)OC2=O

InChI

InChI=1S/C8H4ClNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)

InChIKey

ORYNBDLURYDZFM-UHFFFAOYSA-N

Compound name

8-chloro-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 251
Patents: 196.98798 Da
Monoisotopic Mass: 1.6
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]+	197.995256	131.6
[M+Na]+	219.977198	144.6
[M-H]-	195.980704	135.3
[M+NH4]+	215.021803	150.2
[M+K]+	235.951138	140.8
[M+H-H2O]+	179.985240	126.4
[M+HCOO]-	241.986181	149.1
[M+CH3COO]-	256.001831	177.8
[M+Na-2H]-	217.962646	141.4
[M]+	196.98743142	135.4
[M]-	196.98852858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe