CID 65365020

1-(methoxymethyl)-3,5-dimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₁₁ClN₂O₃S

SMILES

CC1=C(C(=NN1COC)C)S(=O)(=O)Cl

InChI

InChI=1S/C7H11ClN2O3S/c1-5-7(14(8,11)12)6(2)10(9-5)4-13-3/h4H2,1-3H3

InChIKey

MCXIHAXBGMRYQV-UHFFFAOYSA-N

Compound name

1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.0179 Da
Monoisotopic Mass: 0.9
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]+	239.025176	147.2
[M+Na]+	261.007118	159.5
[M-H]-	237.010624	149.7
[M+NH4]+	256.051723	166.2
[M+K]+	276.981058	156.2
[M+H-H2O]+	221.015160	142.2
[M+HCOO]-	283.016101	160.0
[M+CH3COO]-	297.031751	186.6
[M+Na-2H]-	258.992566	148.8
[M]+	238.01735142	155.3
[M]-	238.01844858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.