CID 84706715

2,2-dimethylbenzo[d][1,3]dioxole-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H9ClO4S
SMILES
CC1(OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C9H9ClO4S/c1-9(2)13-7-4-3-6(15(10,11)12)5-8(7)14-9/h3-5H,1-2H3
InChIKey
OQAODSXOFUPNNU-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-benzodioxole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.99101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99829 145.7
[M+Na]+ 270.98023 157.9
[M-H]- 246.98373 152.9
[M+NH4]+ 266.02483 167.2
[M+K]+ 286.95417 156.8
[M+H-H2O]+ 230.98827 143.7
[M+HCOO]- 292.98921 157.9
[M+CH3COO]- 307.00486 185.7
[M+Na-2H]- 268.96568 153.4
[M]+ 247.99046 154.2
[M]- 247.99156 154.2
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.