CID 321611

Nsc273899

Structural Information

Molecular Formula
C16H18F2N2O4S4
SMILES
C1=CC(=CC=C1F)S(=O)(=O)NCCSSCCNS(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H18F2N2O4S4/c17-13-1-5-15(6-2-13)27(21,22)19-9-11-25-26-12-10-20-28(23,24)16-7-3-14(18)4-8-16/h1-8,19-20H,9-12H2
InChIKey
IJEHILQGOULUKG-UHFFFAOYSA-N
Compound name
4-fluoro-N-[2-[2-[(4-fluorophenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.01175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.01903 201.7
[M+Na]+ 491.00097 206.4
[M-H]- 467.00447 200.9
[M+NH4]+ 486.04557 208.1
[M+K]+ 506.97491 194.0
[M+H-H2O]+ 451.00901 191.1
[M+HCOO]- 513.00995 200.7
[M+CH3COO]- 527.02560 228.3
[M+Na-2H]- 488.98642 205.8
[M]+ 468.01120 199.5
[M]- 468.01230 199.5
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.