CID 119030945

1803588-04-6

Structural Information

Molecular Formula
C12H12ClNO5S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCOCCS(=O)(=O)Cl
InChI
InChI=1S/C12H12ClNO5S/c13-20(17,18)8-7-19-6-5-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2
InChIKey
GDSNVUOBVGDVHB-UHFFFAOYSA-N
Compound name
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.01248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01976 167.2
[M+Na]+ 340.00170 177.9
[M-H]- 316.00520 171.1
[M+NH4]+ 335.04630 184.9
[M+K]+ 355.97564 173.4
[M+H-H2O]+ 300.00974 162.6
[M+HCOO]- 362.01068 179.2
[M+CH3COO]- 376.02633 199.1
[M+Na-2H]- 337.98715 169.7
[M]+ 317.01193 176.2
[M]- 317.01303 176.2
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.