CID 118689

34455-00-0

Structural Information

Molecular Formula
C8H10F9NO4S
SMILES
C(CO)N(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H10F9NO4S/c9-5(10,7(13,14)15)6(11,12)8(16,17)23(21,22)18(1-3-19)2-4-20/h19-20H,1-4H2
InChIKey
XYQNMGJZDSSVRP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

232
Patents

387.01868 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.02596 193.4
[M+Na]+ 410.00790 192.4
[M+NH4]+ 405.05250 191.6
[M+K]+ 425.98184 190.4
[M-H]- 386.01140 184.1
[M+Na-2H]- 407.99335 189.0
[M]+ 387.01813 190.3
[M]- 387.01923 190.3
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