CID 106379

68016-04-6

Structural Information

Molecular Formula
C10H12ClNO5S
SMILES
CC(=O)NC1=C(C=C(C=C1S(=O)(=O)Cl)OC)OC
InChI
InChI=1S/C10H12ClNO5S/c1-6(13)12-10-8(17-3)4-7(16-2)5-9(10)18(11,14)15/h4-5H,1-3H3,(H,12,13)
InChIKey
VJDVPZBKSXMSHM-UHFFFAOYSA-N
Compound name
2-acetamido-3,5-dimethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.01248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01976 157.3
[M+Na]+ 316.00170 166.9
[M-H]- 292.00520 162.1
[M+NH4]+ 311.04630 174.3
[M+K]+ 331.97564 163.7
[M+H-H2O]+ 276.00974 152.5
[M+HCOO]- 338.01068 171.7
[M+CH3COO]- 352.02633 198.8
[M+Na-2H]- 313.98715 160.1
[M]+ 293.01193 165.9
[M]- 293.01303 165.9
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.