CID 3017140

P-((undecafluorohexenyl)oxy)benzenesulphonyl chloride

Structural Information

Molecular Formula
C12H4ClF11O3S
SMILES
C1=CC(=CC=C1OC(=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)F)S(=O)(=O)Cl
InChI
InChI=1S/C12H4ClF11O3S/c13-28(25,26)6-3-1-5(2-4-6)27-8(15)7(14)9(16,17)10(18,19)11(20,21)12(22,23)24/h1-4H
InChIKey
JHPOMBWYTNUPKL-UHFFFAOYSA-N
Compound name
4-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

471.9394 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.94668 178.7
[M+Na]+ 494.92862 188.2
[M-H]- 470.93212 169.6
[M+NH4]+ 489.97322 187.4
[M+K]+ 510.90256 182.1
[M+H-H2O]+ 454.93666 165.5
[M+HCOO]- 516.93760 173.5
[M+CH3COO]- 530.95325 225.3
[M+Na-2H]- 492.91407 179.4
[M]+ 471.93885 168.3
[M]- 471.93995 168.3
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

No patent data available for this compound.