CID 4604312

80043-98-7

Structural Information

Molecular Formula
C7HF15O5S
SMILES
C(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F
InChI
InChI=1S/C7HF15O5S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25/h(H,23,24,25)
InChIKey
NAIPGGGRAGKHJB-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

89
Patents

481.9305 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.93778 156.9
[M+Na]+ 504.91972 159.9
[M-H]- 480.92322 163.6
[M+NH4]+ 499.96432 165.9
[M+K]+ 520.89366 166.3
[M+H-H2O]+ 464.92776 146.2
[M+HCOO]- 526.92870 178.1
[M+CH3COO]- 540.94435 225.2
[M+Na-2H]- 502.90517 155.2
[M]+ 481.92995 158.6
[M]- 481.93105 158.6
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

patents stripe