CID 85907340

Dtxsid501033378

Structural Information

Molecular Formula
C17H8F9NO3S
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=NOS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H8F9NO3S/c18-14(19,16(22,23)24)15(20,21)17(25,26)31(28,29)30-27-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChIKey
NILFDXFRFJNPJR-UHFFFAOYSA-N
Compound name
(fluoren-9-ylideneamino) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

477.00812 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.01540 199.7
[M+Na]+ 499.99734 210.1
[M-H]- 476.00084 195.4
[M+NH4]+ 495.04194 211.7
[M+K]+ 515.97128 204.6
[M+H-H2O]+ 460.00538 187.4
[M+HCOO]- 522.00632 203.2
[M+CH3COO]- 536.02197 232.6
[M+Na-2H]- 497.98279 205.8
[M]+ 477.00757 193.7
[M]- 477.00867 193.7
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

No patent data available for this compound.