CID 9933197

Sc-77774

Structural Information

Molecular Formula
C19H18F3NO6S
SMILES
C1COCCC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24)
InChIKey
FOSWRYKPHVPIDJ-UHFFFAOYSA-N
Compound name
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

445.0807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.08798 196.2
[M+Na]+ 468.06992 202.3
[M+NH4]+ 463.11452 199.7
[M+K]+ 484.04386 196.3
[M-H]- 444.07342 195.1
[M+Na-2H]- 466.05537 201.2
[M]+ 445.08015 196.8
[M]- 445.08125 196.8
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