CID 329105

40928-13-0

Structural Information

Molecular Formula

C₈H₄ClNO₃

SMILES

C1=CC2=C(C=C1Cl)NC(=O)OC2=O

InChI

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

InChIKey

QRUPDIJQZCABTC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
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]+	197.99526	132.5
[M+Na]+	219.97720	149.0
[M+NH4]+	215.02180	141.0
[M+K]+	235.95114	142.5
[M-H]-	195.98070	135.3
[M+Na-2H]-	217.96265	139.4
[M]+	196.98743	136.0
[M]-	196.98853	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe