CID 118714

34684-43-0

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₃S

SMILES

CC1=CC(=C(C=C1NC(=O)C)S(=O)(=O)Cl)C

InChI

InChI=1S/C10H12ClNO3S/c1-6-4-7(2)10(16(11,14)15)5-9(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)

InChIKey

CRQMIQVYEFNWRZ-UHFFFAOYSA-N

Compound name

5-acetamido-2,4-dimethylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.02264 Da
Monoisotopic Mass: 1.9
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]+	262.02992	151.7
[M+Na]+	284.01186	161.8
[M-H]-	260.01536	156.5
[M+NH4]+	279.05646	170.2
[M+K]+	299.98580	157.4
[M+H-H2O]+	244.01990	147.3
[M+HCOO]-	306.02084	165.7
[M+CH3COO]-	320.03649	194.4
[M+Na-2H]-	281.99731	154.0
[M]+	261.02209	157.4
[M]-	261.02319	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe