CID 20119670

4-(2-methoxyethoxy)-3-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13ClO4S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)Cl)OCCOC
InChI
InChI=1S/C10H13ClO4S/c1-8-7-9(16(11,12)13)3-4-10(8)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3
InChIKey
CYUYJLMTRQASDR-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)-3-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 151.9
[M+Na]+ 287.011518 161.9
[M-H]- 263.015024 156.4
[M+NH4]+ 282.056123 170.4
[M+K]+ 302.985458 158.2
[M+H-H2O]+ 247.019560 147.3
[M+HCOO]- 309.020501 166.0
[M+CH3COO]- 323.036151 191.1
[M+Na-2H]- 284.996966 155.6
[M]+ 264.02175142 160.8
[M]- 264.02284858 160.8
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