CID 9799453

Thioflosulide

Structural Information

Molecular Formula
C16H13F2NO3S2
SMILES
CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)SC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
InChIKey
HDUWKQUHMUSICC-UHFFFAOYSA-N
Compound name
N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

235
Patents

369.0305 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.03778 178.8
[M+Na]+ 392.01972 189.3
[M-H]- 368.02322 184.1
[M+NH4]+ 387.06432 194.8
[M+K]+ 407.99366 182.3
[M+H-H2O]+ 352.02776 171.5
[M+HCOO]- 414.02870 189.5
[M+CH3COO]- 428.04435 214.2
[M+Na-2H]- 390.00517 179.1
[M]+ 369.02995 181.4
[M]- 369.03105 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe