CID 176390

68299-19-4

Structural Information

Molecular Formula
C11H8F9NO5S2
SMILES
C1=CC=C(C(=C1)CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C11H8F9NO5S2/c12-8(13,10(16,17)18)9(14,15)11(19,20)28(25,26)21-5-6-3-1-2-4-7(6)27(22,23)24/h1-4,21H,5H2,(H,22,23,24)
InChIKey
AYBWYLPJRRPFMD-UHFFFAOYSA-N
Compound name
2-[(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)methyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.97003 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.97731 200.7
[M+Na]+ 491.95925 200.0
[M+NH4]+ 487.00385 198.8
[M+K]+ 507.93319 197.3
[M-H]- 467.96275 192.3
[M+Na-2H]- 489.94470 197.3
[M]+ 468.96948 198.1
[M]- 468.97058 198.1
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.