CID 63955757

N-(cyclopropylmethyl)-n-ethylsulfamoyl chloride

Structural Information

Molecular Formula

C₆H₁₂ClNO₂S

SMILES

CCN(CC1CC1)S(=O)(=O)Cl

InChI

InChI=1S/C6H12ClNO2S/c1-2-8(11(7,9)10)5-6-3-4-6/h6H,2-5H2,1H3

InChIKey

IYWMQCZWSSPUNN-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-N-ethylsulfamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.02773 Da
Monoisotopic Mass: 1.4
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]+	198.035006	135.1
[M+Na]+	220.016948	144.3
[M-H]-	196.020454	141.1
[M+NH4]+	215.061553	151.2
[M+K]+	235.990888	141.2
[M+H-H2O]+	180.024990	129.9
[M+HCOO]-	242.025931	150.2
[M+CH3COO]-	256.041581	187.2
[M+Na-2H]-	218.002396	139.3
[M]+	197.02718142	142.4
[M]-	197.02827858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.