CID 103564

51947-19-4

Structural Information

Molecular Formula
C16H4ClF19O3S
SMILES
C1=CC(=CC=C1OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C16H4ClF19O3S/c17-40(37,38)6-3-1-5(2-4-6)39-8(11(21,22)23)7(10(18,19)20)9(14(28,29)30,12(24,25)15(31,32)33)13(26,27)16(34,35)36/h1-4H
InChIKey
VOEFEIDNANPLSQ-UHFFFAOYSA-N
Compound name
4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

671.92664 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 672.93392 162.7
[M+Na]+ 694.91586 162.8
[M+NH4]+ 689.96046 162.7
[M+K]+ 710.88980 163.2
[M-H]- 670.91936 162.1
[M+Na-2H]- 692.90131 163.2
[M]+ 671.92609 162.6
[M]- 671.92719 162.6
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.