CID 22727046

4-(2-ethoxyethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO4S
SMILES
CCOCCOC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H13ClO4S/c1-2-14-7-8-15-9-3-5-10(6-4-9)16(11,12)13/h3-6H,2,7-8H2,1H3
InChIKey
KJPYBXNRJJZNRP-UHFFFAOYSA-N
Compound name
4-(2-ethoxyethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

264.0223 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.029576 152.7
[M+Na]+ 287.011518 161.9
[M-H]- 263.015024 156.9
[M+NH4]+ 282.056123 170.9
[M+K]+ 302.985458 158.2
[M+H-H2O]+ 247.019560 147.8
[M+HCOO]- 309.020501 166.9
[M+CH3COO]- 323.036151 189.9
[M+Na-2H]- 284.996966 157.0
[M]+ 264.02175142 161.2
[M]- 264.02284858 161.2
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

patents stripe