CID 3022201

93762-09-5

Structural Information

Molecular Formula
C4HF9O3S
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)S(=O)(=O)O)F
InChI
InChI=1S/C4HF9O3S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16/h(H,14,15,16)
InChIKey
GWJVUODILLGCGD-UHFFFAOYSA-N
Compound name
1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

75
Patents

299.95026 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.957536 145.7
[M+Na]+ 322.939478 155.1
[M-H]- 298.942984 134.3
[M+NH4]+ 317.984083 159.7
[M+K]+ 338.913418 152.4
[M+H-H2O]+ 282.947520 135.1
[M+HCOO]- 344.948461 147.4
[M+CH3COO]- 358.964111 194.0
[M+Na-2H]- 320.924926 150.0
[M]+ 299.94971142 134.1
[M]- 299.95080858 134.1
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

patents stripe