CID 139596320

Ns00018905

Structural Information

Molecular Formula
C11H13F13N2O3S
SMILES
CCN(CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H13F13N2O3S/c1-2-26(27)5-3-4-25-30(28,29)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h25,27H,2-5H2,1H3
InChIKey
NVYLHMDYIJBZAY-UHFFFAOYSA-N
Compound name
N-[3-[ethyl(hydroxy)amino]propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.0439 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.05118 174.5
[M+Na]+ 523.03312 180.9
[M-H]- 499.03662 182.2
[M+NH4]+ 518.07772 182.5
[M+K]+ 539.00706 185.8
[M+H-H2O]+ 483.04116 163.8
[M+HCOO]- 545.04210 190.1
[M+CH3COO]- 559.05775 238.6
[M+Na-2H]- 521.01857 171.1
[M]+ 500.04335 172.1
[M]- 500.04445 172.1
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.