CID 54595382

4-(2,2-difluoroethoxy)naphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H9ClF2O3S
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)Cl)OCC(F)F
InChI
InChI=1S/C12H9ClF2O3S/c13-19(16,17)11-6-5-10(18-7-12(14)15)8-3-1-2-4-9(8)11/h1-6,12H,7H2
InChIKey
ALAUBQGSEIFBNW-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethoxy)naphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9929 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.000176 157.3
[M+Na]+ 328.982118 167.8
[M-H]- 304.985624 159.8
[M+NH4]+ 324.026723 174.9
[M+K]+ 344.956058 162.5
[M+H-H2O]+ 288.990160 150.8
[M+HCOO]- 350.991101 167.5
[M+CH3COO]- 365.006751 198.7
[M+Na-2H]- 326.967566 161.4
[M]+ 305.99235142 162.0
[M]- 305.99344858 162.0
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.