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 161.7
[M+Na]+ 316.00170 172.3
[M+NH4]+ 311.04630 167.6
[M+K]+ 331.97564 166.5
[M-H]- 292.00520 161.4
[M+Na-2H]- 313.98715 165.3
[M]+ 293.01193 163.6
[M]- 293.01303 163.6
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.