CID 139593269

2143892-50-4

Structural Information

Molecular Formula
C13H11ClFNO3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C13H11ClFNO3S2/c1-10-2-6-13(7-3-10)21(18,19)16-20(15,17)12-8-4-11(14)5-9-12/h2-9H,1H3
InChIKey
ZKSTYVIGFNZFRW-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-fluoro-oxo-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

346.9853 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99258 172.5
[M+Na]+ 369.97452 182.8
[M-H]- 345.97802 179.7
[M+NH4]+ 365.01912 187.6
[M+K]+ 385.94846 175.7
[M+H-H2O]+ 329.98256 165.4
[M+HCOO]- 391.98350 181.6
[M+CH3COO]- 405.99915 206.3
[M+Na-2H]- 367.95997 176.7
[M]+ 346.98475 177.2
[M]- 346.98585 177.2
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