CID 31501

Diflumidone

Structural Information

Molecular Formula

C₁₄H₁₁F₂NO₃S

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C(F)F

InChI

InChI=1S/C14H11F2NO3S/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,14,17H

InChIKey

JLBDOSAQLCZTSX-UHFFFAOYSA-N

Compound name

N-(3-benzoylphenyl)-1,1-difluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4064
Patents: 311.0428 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.05008	164.4
[M+Na]+	334.03202	171.5
[M-H]-	310.03552	168.5
[M+NH4]+	329.07662	178.5
[M+K]+	350.00596	167.0
[M+H-H2O]+	294.04006	155.2
[M+HCOO]-	356.04100	180.0
[M+CH3COO]-	370.05665	203.0
[M+Na-2H]-	332.01747	166.9
[M]+	311.04225	163.6
[M]-	311.04335	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe