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

literature stripe

Patent stripe

patents stripe