CID 17750111

2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H3ClF2O4S
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)Cl)OC(O2)(F)F
InChI
InChI=1S/C7H3ClF2O4S/c8-15(11,12)5-3-1-2-4-6(5)14-7(9,10)13-4/h1-3H
InChIKey
RSCUQVIKWLIGNV-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

255.94086 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.948136 140.5
[M+Na]+ 278.930078 153.6
[M-H]- 254.933584 145.2
[M+NH4]+ 273.974683 161.6
[M+K]+ 294.904018 152.1
[M+H-H2O]+ 238.938120 136.9
[M+HCOO]- 300.939061 151.4
[M+CH3COO]- 314.954711 185.2
[M+Na-2H]- 276.915526 148.2
[M]+ 255.94031142 146.3
[M]- 255.94140858 146.3
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