CID 13723708

77156-57-1

Structural Information

Molecular Formula

C₁₀H₉ClO₃

SMILES

CC1(COC2=CC=CC=C2O1)C(=O)Cl

InChI

InChI=1S/C10H9ClO3/c1-10(9(11)12)6-13-7-4-2-3-5-8(7)14-10/h2-5H,6H2,1H3

InChIKey

LOWDXWQZUWBHMK-UHFFFAOYSA-N

Compound name

3-methyl-2H-1,4-benzodioxine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.02402 Da
Monoisotopic Mass: 2.4
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]+	213.03130	140.1
[M+Na]+	235.01324	154.5
[M+NH4]+	230.05784	150.9
[M+K]+	250.98718	146.6
[M-H]-	211.01674	145.2
[M+Na-2H]-	232.99869	147.2
[M]+	212.02347	144.2
[M]-	212.02457	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe