CID 21719524

1342075-20-0

Structural Information

Molecular Formula

C₈H₆F₂N₂O₂

SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)N)F

InChI

InChI=1S/C8H6F2N2O2/c9-4-2-1-3-5(10)6(4)7(13)12-8(11)14/h1-3H,(H3,11,12,13,14)

InChIKey

PPOSFCNLNROPTA-UHFFFAOYSA-N

Compound name

N-carbamoyl-2,6-difluorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 200.03973 Da
Monoisotopic Mass: 1.1
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]+	201.04701	137.5
[M+Na]+	223.02895	145.7
[M-H]-	199.03245	138.7
[M+NH4]+	218.07355	155.9
[M+K]+	239.00289	143.5
[M+H-H2O]+	183.03699	129.6
[M+HCOO]-	245.03793	160.5
[M+CH3COO]-	259.05358	188.0
[M+Na-2H]-	221.01440	140.6
[M]+	200.03918	132.9
[M]-	200.04028	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe