CID 47002974

87474-15-5

Structural Information

Molecular Formula
C8H7ClO4S
SMILES
C1COC2=C(O1)C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO4S/c9-14(10,11)7-3-1-2-6-8(7)13-5-4-12-6/h1-3H,4-5H2
InChIKey
WPRMKPUAZYSFOY-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

233.97536 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98264 140.5
[M+Na]+ 256.96458 150.4
[M-H]- 232.96808 147.0
[M+NH4]+ 252.00918 158.4
[M+K]+ 272.93852 149.4
[M+H-H2O]+ 216.97262 136.6
[M+HCOO]- 278.97356 151.1
[M+CH3COO]- 292.98921 182.5
[M+Na-2H]- 254.95003 149.4
[M]+ 233.97481 145.8
[M]- 233.97591 145.8
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