CID 118686

34449-89-3

Structural Information

Molecular Formula
C8H10F9NO3S
SMILES
CCN(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H10F9NO3S/c1-2-18(3-4-19)22(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h19H,2-4H2,1H3
InChIKey
ZSBOIPHQFKYRMG-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

113
Patents

371.02377 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03105 165.5
[M+Na]+ 394.01299 172.5
[M-H]- 370.01649 154.5
[M+NH4]+ 389.05759 176.8
[M+K]+ 409.98693 170.1
[M+H-H2O]+ 354.02103 153.6
[M+HCOO]- 416.02197 167.3
[M+CH3COO]- 430.03762 213.9
[M+Na-2H]- 391.99844 168.1
[M]+ 371.02322 155.7
[M]- 371.02432 155.7
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