CID 43670366

3-[(2,2,3,3-tetrafluoropropoxy)methyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClF4O3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)COCC(C(F)F)(F)F
InChI
InChI=1S/C10H9ClF4O3S/c11-19(16,17)8-3-1-2-7(4-8)5-18-6-10(14,15)9(12)13/h1-4,9H,5-6H2
InChIKey
ZQUHKCPCZCQTAB-UHFFFAOYSA-N
Compound name
3-(2,2,3,3-tetrafluoropropoxymethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.98972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.99700 157.0
[M+Na]+ 342.97894 166.4
[M-H]- 318.98244 155.8
[M+NH4]+ 338.02354 172.6
[M+K]+ 358.95288 161.4
[M+H-H2O]+ 302.98698 148.9
[M+HCOO]- 364.98792 164.3
[M+CH3COO]- 379.00357 200.0
[M+Na-2H]- 340.96439 159.1
[M]+ 319.98917 158.5
[M]- 319.99027 158.5
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.