CID 131598270

2091008-99-8

Structural Information

Molecular Formula

C₈H₁₁ClN₂O₃S

SMILES

CC1(CN2C(=C(C=N2)S(=O)(=O)Cl)OC1)C

InChI

InChI=1S/C8H11ClN2O3S/c1-8(2)4-11-7(14-5-8)6(3-10-11)15(9,12)13/h3H,4-5H2,1-2H3

InChIKey

NKLOAMORDUPYRD-UHFFFAOYSA-N

Compound name

6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 250.0179 Da
Monoisotopic Mass: 1.5
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]+	251.025176	148.4
[M+Na]+	273.007118	159.9
[M-H]-	249.010624	151.7
[M+NH4]+	268.051723	168.3
[M+K]+	288.981058	157.8
[M+H-H2O]+	233.015160	144.3
[M+HCOO]-	295.016101	157.4
[M+CH3COO]-	309.031751	186.2
[M+Na-2H]-	270.992566	154.0
[M]+	250.01735142	153.9
[M]-	250.01844858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe