CID 118689

1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis(2-hydroxyethyl)butane-1-sulfonamide

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
3
Annotation Hits

0
References

234
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 167.8
[M+Na]+ 410.00790 174.1
[M-H]- 386.01140 155.3
[M+NH4]+ 405.05250 163.0
[M+K]+ 425.98184 171.4
[M+H-H2O]+ 370.01594 156.0
[M+HCOO]- 432.01688 174.7
[M+CH3COO]- 446.03253 213.5
[M+Na-2H]- 407.99335 170.6
[M]+ 387.01813 157.5
[M]- 387.01923 157.5
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