CID 16776877

5-(acetamidomethyl)-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
CC(=O)NCC1=CC(=C(C=C1)OC)S(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO4S/c1-7(13)12-6-8-3-4-9(16-2)10(5-8)17(11,14)15/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
GEQTWTGHANYCRD-UHFFFAOYSA-N
Compound name
5-(acetamidomethyl)-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01755 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02483 158.8
[M+Na]+ 300.00677 169.5
[M+NH4]+ 295.05137 165.3
[M+K]+ 315.98071 162.9
[M-H]- 276.01027 158.9
[M+Na-2H]- 297.99222 163.0
[M]+ 277.01700 160.9
[M]- 277.01810 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.