CID 139595509

Hopflsa n=5

Structural Information

Molecular Formula
C7H2F14O4S
SMILES
C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H2F14O4S/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)25-6(18,19)7(20,21)26(22,23)24/h1H,(H,22,23,24)
InChIKey
IYAFCGZBAFKFSQ-UHFFFAOYSA-N
Compound name
2-(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

447.94504 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.95232 155.8
[M+Na]+ 470.93426 159.9
[M-H]- 446.93776 161.1
[M+NH4]+ 465.97886 164.3
[M+K]+ 486.90820 165.4
[M+H-H2O]+ 430.94230 160.0
[M+HCOO]- 492.94324 174.5
[M+CH3COO]- 506.95889 221.9
[M+Na-2H]- 468.91971 177.1
[M]+ 447.94449 156.6
[M]- 447.94559 156.6
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.