PubChemLite - Broflanilide (C25H14BrF11N2O2)

Structural Information

Molecular Formula

SMILES

CN(C1=CC=CC(=C1F)C(=O)NC2=C(C=C(C=C2Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H14BrF11N2O2/c1-39(21(41)12-6-3-2-4-7-12)17-9-5-8-14(18(17)27)20(40)38-19-15(23(29,30)31)10-13(11-16(19)26)22(28,24(32,33)34)25(35,36)37/h2-11H,1H3,(H,38,40)

InChIKey

QSLZKWPYTWEWHC-UHFFFAOYSA-N

Compound name

3-[benzoyl(methyl)amino]-N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluorobenzamide

Related CIDs

2D Structure

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]+	663.01358	198.2
[M+Na]+	684.99552	197.0
[M+NH4]+	680.04012	196.5
[M+K]+	700.96946	196.1
[M-H]-	660.99902	193.8
[M+Na-2H]-	682.98097	196.2
[M]+	662.00575	196.3
[M]-	662.00685	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

663.01358

198.2

[M+Na]+

684.99552

197.0

[M+NH4]+

680.04012

196.5

[M+K]+

700.96946

196.1

[M-H]-

660.99902

193.8

[M+Na-2H]-

682.98097

196.2

[M]+

662.00575

196.3

[M]-

662.00685

196.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Broflanilide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe