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

40
Patents

299.95026 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.95754 145.7
[M+Na]+ 322.93948 155.1
[M-H]- 298.94298 134.3
[M+NH4]+ 317.98408 159.7
[M+K]+ 338.91342 152.4
[M+H-H2O]+ 282.94752 135.1
[M+HCOO]- 344.94846 147.4
[M+CH3COO]- 358.96411 194.0
[M+Na-2H]- 320.92493 150.0
[M]+ 299.94971 134.1
[M]- 299.95081 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