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]+ 307.00018 157.3
[M+Na]+ 328.98212 167.8
[M-H]- 304.98562 159.8
[M+NH4]+ 324.02672 174.9
[M+K]+ 344.95606 162.5
[M+H-H2O]+ 288.99016 150.8
[M+HCOO]- 350.99110 167.5
[M+CH3COO]- 365.00675 198.7
[M+Na-2H]- 326.96757 161.4
[M]+ 305.99235 162.0
[M]- 305.99345 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.