CID 4306514

Methane, tris[(trifluoromethyl)sulfonyl]-

Structural Information

Molecular Formula
C4HF9O6S3
SMILES
C(S(=O)(=O)C(F)(F)F)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C4HF9O6S3/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13/h1H
InChIKey
MYIAPBDBTMDUDP-UHFFFAOYSA-N
Compound name
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2020
Patents

411.87915 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.88643 166.8
[M+Na]+ 434.86837 173.5
[M-H]- 410.87187 154.7
[M+NH4]+ 429.91297 175.2
[M+K]+ 450.84231 168.3
[M+H-H2O]+ 394.87641 154.4
[M+HCOO]- 456.87735 158.6
[M+CH3COO]- 470.89300 208.5
[M+Na-2H]- 432.85382 171.3
[M]+ 411.87860 157.4
[M]- 411.87970 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe