CID 44632410

1260143-68-7

Structural Information

Molecular Formula
C20H18FNO3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C2=CC=CC=C2)C(C3=CC=CC=C3)F
InChI
InChI=1S/C20H18FNO3S2/c1-16-12-14-19(15-13-16)27(24,25)22-26(23,18-10-6-3-7-11-18)20(21)17-8-4-2-5-9-17/h2-15,20H,1H3
InChIKey
ZAGQEXRRSCLLFW-UHFFFAOYSA-N
Compound name
N-[[fluoro(phenyl)methyl]-oxo-phenyl-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

403.07123 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.07851 192.6
[M+Na]+ 426.06045 199.7
[M-H]- 402.06395 201.3
[M+NH4]+ 421.10505 203.5
[M+K]+ 442.03439 192.7
[M+H-H2O]+ 386.06849 182.7
[M+HCOO]- 448.06943 204.4
[M+CH3COO]- 462.08508 218.9
[M+Na-2H]- 424.04590 196.4
[M]+ 403.07068 194.1
[M]- 403.07178 194.1
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

patents stripe