CID 139595561

Mopflsa n=4

Structural Information

Molecular Formula
C8HF17O5S
SMILES
C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF17O5S/c9-1(10,2(11,12)8(24,25)31(26,27)28)4(16,17)29-6(20,21)7(22,23)30-5(18,19)3(13,14)15/h(H,26,27,28)
InChIKey
JGLWQYHREZXMGM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]butane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

531.9273 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.93458 164.0
[M+Na]+ 554.91652 166.4
[M-H]- 530.92002 171.9
[M+NH4]+ 549.96112 174.0
[M+K]+ 570.89046 174.9
[M+H-H2O]+ 514.92456 152.1
[M+HCOO]- 576.92550 184.5
[M+CH3COO]- 590.94115 234.0
[M+Na-2H]- 552.90197 162.6
[M]+ 531.92675 165.6
[M]- 531.92785 165.6
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.