CID 24692041

2-bromo-n,n-diethyl-4-fluorobenzamide

Structural Information

Molecular Formula

C₁₁H₁₃BrFNO

SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C11H13BrFNO/c1-3-14(4-2)11(15)9-6-5-8(13)7-10(9)12/h5-7H,3-4H2,1-2H3

InChIKey

RUJBTFDWZIHNOR-UHFFFAOYSA-N

Compound name

2-bromo-N,N-diethyl-4-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 273.01645 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]+	274.023726	153.2
[M+Na]+	296.005668	164.0
[M-H]-	272.009174	159.5
[M+NH4]+	291.050273	173.7
[M+K]+	311.979608	153.5
[M+H-H2O]+	256.013710	151.4
[M+HCOO]-	318.014651	174.3
[M+CH3COO]-	332.030301	201.2
[M+Na-2H]-	293.991116	157.4
[M]+	273.01590142	172.3
[M]-	273.01699858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe