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

7
Patents

264.0223 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02958 151.9
[M+Na]+ 287.01152 161.9
[M-H]- 263.01502 156.4
[M+NH4]+ 282.05612 170.4
[M+K]+ 302.98546 158.2
[M+H-H2O]+ 247.01956 147.3
[M+HCOO]- 309.02050 166.0
[M+CH3COO]- 323.03615 191.1
[M+Na-2H]- 284.99697 155.6
[M]+ 264.02175 160.8
[M]- 264.02285 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