CID 2776403

368869-93-6

Structural Information

Molecular Formula

C₉H₁₀ClNO₃S

SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H10ClNO3S/c1-11-4-5-14-9-6-7(15(10,12)13)2-3-8(9)11/h2-3,6H,4-5H2,1H3

InChIKey

PQOZDBIEDQALFA-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 247.00699 Da
Monoisotopic Mass: 1.8
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]+	248.01427	146.6
[M+Na]+	269.99621	156.8
[M-H]-	245.99971	150.9
[M+NH4]+	265.04081	164.1
[M+K]+	285.97015	154.0
[M+H-H2O]+	230.00425	141.7
[M+HCOO]-	292.00519	155.9
[M+CH3COO]-	306.02084	187.0
[M+Na-2H]-	267.98166	153.1
[M]+	247.00644	150.9
[M]-	247.00754	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe