CID 24692041

Schembl25141574

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: 8
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]+	274.02373	152.8
[M+Na]+	296.00567	155.0
[M+NH4]+	291.05027	156.9
[M+K]+	311.97961	154.9
[M-H]-	272.00917	152.7
[M+Na-2H]-	293.99112	155.4
[M]+	273.01590	151.8
[M]-	273.01700	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe