CID 145913855

2247107-66-8

Structural Information

Molecular Formula
C8H8Cl2O4S
SMILES
CCOC1=C(C(=CC(=C1)S(=O)(=O)Cl)Cl)O
InChI
InChI=1S/C8H8Cl2O4S/c1-2-14-7-4-5(15(10,12)13)3-6(9)8(7)11/h3-4,11H,2H2,1H3
InChIKey
HFRASKSMWDHJER-UHFFFAOYSA-N
Compound name
3-chloro-5-ethoxy-4-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.95203 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95931 147.1
[M+Na]+ 292.94125 158.5
[M-H]- 268.94475 150.5
[M+NH4]+ 287.98585 165.4
[M+K]+ 308.91519 153.3
[M+H-H2O]+ 252.94929 144.5
[M+HCOO]- 314.95023 155.5
[M+CH3COO]- 328.96588 188.4
[M+Na-2H]- 290.92670 150.3
[M]+ 269.95148 154.7
[M]- 269.95258 154.7
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.