CID 30632

21441-01-0

Structural Information

Molecular Formula

C₁₀H₉Cl₂NO₂

SMILES

CC1(C2=C(C(=CC(=C2)Cl)Cl)NC(=O)O1)C

InChI

InChI=1S/C10H9Cl2NO2/c1-10(2)6-3-5(11)4-7(12)8(6)13-9(14)15-10/h3-4H,1-2H3,(H,13,14)

InChIKey

MTQBQKRLIDTQKB-UHFFFAOYSA-N

Compound name

6,8-dichloro-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.00104 Da
Monoisotopic Mass: 2.9
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]+	246.00832	145.4
[M+Na]+	267.99026	157.3
[M-H]-	243.99376	148.0
[M+NH4]+	263.03486	164.6
[M+K]+	283.96420	152.6
[M+H-H2O]+	227.99830	141.5
[M+HCOO]-	289.99924	153.9
[M+CH3COO]-	304.01489	188.5
[M+Na-2H]-	265.97571	151.9
[M]+	245.00049	147.9
[M]-	245.00159	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe