CID 139594679

Opflsa_ii n=5

Structural Information

Molecular Formula
C7HF15O4S
SMILES
C(C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChI
InChI=1S/C7HF15O4S/c8-1(9,3(12,13)7(21,22)27(23,24)25)2(10,11)5(17,18)26-6(19,20)4(14,15)16/h(H,23,24,25)
InChIKey
DCUPCIUMEWJEBR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,1,2,2,2-pentafluoroethoxy)pentane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

465.9356 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.94288 155.4
[M+Na]+ 488.92482 158.9
[M-H]- 464.92832 161.4
[M+NH4]+ 483.96942 163.8
[M+K]+ 504.89876 165.3
[M+H-H2O]+ 448.93286 144.6
[M+HCOO]- 510.93380 176.6
[M+CH3COO]- 524.94945 224.1
[M+Na-2H]- 486.91027 154.0
[M]+ 465.93505 157.1
[M]- 465.93615 157.1
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.