CID 62104984

1285121-04-1

Structural Information

Molecular Formula
C11H12Cl2O4S
SMILES
C1COCC1COC2=C(C=C(C=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C11H12Cl2O4S/c12-9-1-2-10(11(5-9)18(13,14)15)17-7-8-3-4-16-6-8/h1-2,5,8H,3-4,6-7H2
InChIKey
ZGEHGWISCKCNTK-UHFFFAOYSA-N
Compound name
5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.98334 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99062 164.5
[M+Na]+ 332.97256 174.0
[M-H]- 308.97606 172.1
[M+NH4]+ 328.01716 181.8
[M+K]+ 348.94650 170.2
[M+H-H2O]+ 292.98060 160.7
[M+HCOO]- 354.98154 172.0
[M+CH3COO]- 368.99719 195.0
[M+Na-2H]- 330.95801 166.1
[M]+ 309.98279 171.0
[M]- 309.98389 171.0
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.