CID 139597942

2-[(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)oxy]-1,1,2,2-tetrafluoroethane-1-sulfonic acid

Structural Information

Molecular Formula
C7HClF14O4S
SMILES
C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(F)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C7HClF14O4S/c8-4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)26-6(19,20)7(21,22)27(23,24)25/h(H,23,24,25)
InChIKey
XYRDZMSAYIMRTQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

481.90604 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.91332 156.5
[M+Na]+ 504.89526 160.3
[M-H]- 480.89876 163.1
[M+NH4]+ 499.93986 165.4
[M+K]+ 520.86920 167.0
[M+H-H2O]+ 464.90330 162.9
[M+HCOO]- 526.90424 178.1
[M+CH3COO]- 540.91989 225.1
[M+Na-2H]- 502.88071 181.6
[M]+ 481.90549 161.1
[M]- 481.90659 161.1
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.