CID 18072892

4-(cyclopropylcarbamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃S

SMILES

C1CC1NC(=O)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H10ClNO3S/c11-16(14,15)9-5-1-7(2-6-9)10(13)12-8-3-4-8/h1-2,5-6,8H,3-4H2,(H,12,13)

InChIKey

LZXIZCNYHOOLKX-UHFFFAOYSA-N

Compound name

4-(cyclopropylcarbamoyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.007 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]+	260.014276	146.3
[M+Na]+	281.996218	155.9
[M-H]-	257.999724	154.0
[M+NH4]+	277.040823	159.3
[M+K]+	297.970158	150.8
[M+H-H2O]+	242.004260	140.9
[M+HCOO]-	304.005201	161.1
[M+CH3COO]-	318.020851	193.4
[M+Na-2H]-	279.981666	150.7
[M]+	259.00645142	152.3
[M]-	259.00754858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.