CID 139596109

Opflsa_i n=1

Structural Information

Molecular Formula
C5HF11O4S
SMILES
C(C(OC(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5HF11O4S/c6-1(2(7,8)9,3(10,11)12)4(13,14)20-5(15,16)21(17,18)19/h(H,17,18,19)
InChIKey
MQXOQXJTHNLHTF-UHFFFAOYSA-N
Compound name
difluoro-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

365.942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.94928 158.7
[M+Na]+ 388.93122 167.6
[M-H]- 364.93472 145.1
[M+NH4]+ 383.97582 169.6
[M+K]+ 404.90516 165.1
[M+H-H2O]+ 348.93926 146.5
[M+HCOO]- 410.94020 156.9
[M+CH3COO]- 424.95585 205.5
[M+Na-2H]- 386.91667 163.3
[M]+ 365.94145 145.1
[M]- 365.94255 145.1
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.