CID 21118276

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-(1-hydroxypentan-3-yl)octane-1-sulfonamide

Structural Information

Molecular Formula
C13H12F17NO3S
SMILES
CCC(CCO)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H12F17NO3S/c1-2-5(3-4-32)31-35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h5,31-32H,2-4H2,1H3
InChIKey
GIYINBNLBXBUPY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1-hydroxypentan-3-yl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.0267 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.033976 183.8
[M+Na]+ 608.015918 187.3
[M-H]- 584.019424 192.2
[M+NH4]+ 603.060523 192.8
[M+K]+ 623.989858 197.2
[M+H-H2O]+ 568.023960 170.6
[M+HCOO]- 630.024901 199.0
[M+CH3COO]- 644.040551 247.3
[M+Na-2H]- 606.001366 180.7
[M]+ 585.02615142 182.5
[M]- 585.02724858 182.5
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

No patent data available for this compound.