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]+ 256.94814 140.5
[M+Na]+ 278.93008 153.6
[M-H]- 254.93358 145.2
[M+NH4]+ 273.97468 161.6
[M+K]+ 294.90402 152.1
[M+H-H2O]+ 238.93812 136.9
[M+HCOO]- 300.93906 151.4
[M+CH3COO]- 314.95471 185.2
[M+Na-2H]- 276.91553 148.2
[M]+ 255.94031 146.3
[M]- 255.94141 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