CID 338566

Nsc361668

Structural Information

Molecular Formula
C19H12F6N2O5S
SMILES
CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC1=O
InChI
InChI=1S/C19H12F6N2O5S/c1-9(28)26-15-5-10-4-13(2-3-16(10)32-17(15)29)27-33(30,31)14-7-11(18(20,21)22)6-12(8-14)19(23,24)25/h2-8,27H,1H3,(H,26,28)
InChIKey
UHCCOXMYSYMFIY-UHFFFAOYSA-N
Compound name
N-[6-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-oxochromen-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

494.0371 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.04438 205.4
[M+Na]+ 517.02632 214.9
[M-H]- 493.02982 206.3
[M+NH4]+ 512.07092 211.8
[M+K]+ 533.00026 210.3
[M+H-H2O]+ 477.03436 192.3
[M+HCOO]- 539.03530 213.1
[M+CH3COO]- 553.05095 238.8
[M+Na-2H]- 515.01177 209.7
[M]+ 494.03655 203.3
[M]- 494.03765 203.3
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

No patent data available for this compound.