CID 139596680

Opflsa_i n=2

Structural Information

Molecular Formula
C6HF13O4S
SMILES
C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6HF13O4S/c7-1(2(8,9)10,3(11,12)13)4(14,15)23-5(16,17)6(18,19)24(20,21)22/h(H,20,21,22)
InChIKey
PTGZEKUJAJUKNV-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

415.93878 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.94606 169.0
[M+Na]+ 438.92800 177.7
[M-H]- 414.93150 153.3
[M+NH4]+ 433.97260 156.0
[M+K]+ 454.90194 175.0
[M+H-H2O]+ 398.93604 155.6
[M+HCOO]- 460.93698 170.5
[M+CH3COO]- 474.95263 214.7
[M+Na-2H]- 436.91345 173.6
[M]+ 415.93823 152.1
[M]- 415.93933 152.1
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.