CID 86268

Flusulfamide

Structural Information

Molecular Formula
C13H7Cl2F3N2O4S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H
InChIKey
GNVDAZSPJWCIQZ-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

23366
Patents

413.94556 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.95284 170.7
[M+Na]+ 436.93478 180.9
[M+NH4]+ 431.97938 175.1
[M+K]+ 452.90872 177.2
[M-H]- 412.93828 169.8
[M+Na-2H]- 434.92023 176.1
[M]+ 413.94501 172.4
[M]- 413.94611 172.4
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