CID 21477276

166338-07-4

Structural Information

Molecular Formula
C13H19ClO6S
SMILES
COCCOCCOCCOC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C13H19ClO6S/c1-17-6-7-18-8-9-19-10-11-20-12-2-4-13(5-3-12)21(14,15)16/h2-5H,6-11H2,1H3
InChIKey
MMLWGWNZNFOEHQ-UHFFFAOYSA-N
Compound name
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

338.05908 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06636 171.3
[M+Na]+ 361.04830 178.7
[M-H]- 337.05180 174.8
[M+NH4]+ 356.09290 186.3
[M+K]+ 377.02224 175.5
[M+H-H2O]+ 321.05634 165.4
[M+HCOO]- 383.05728 185.0
[M+CH3COO]- 397.07293 202.9
[M+Na-2H]- 359.03375 174.7
[M]+ 338.05853 183.8
[M]- 338.05963 183.8
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

patents stripe