CID 14645044

125174-21-2

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

CNC(=O)C1=CC=C(C=C1)OCCBr

InChI

InChI=1S/C10H12BrNO2/c1-12-10(13)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7H2,1H3,(H,12,13)

InChIKey

RKPKQXRFBILMBQ-UHFFFAOYSA-N

Compound name

4-(2-bromoethoxy)-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.00513 Da
Monoisotopic Mass: 1.9
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]+	258.01241	148.2
[M+Na]+	279.99435	158.2
[M-H]-	255.99785	154.2
[M+NH4]+	275.03895	168.4
[M+K]+	295.96829	147.4
[M+H-H2O]+	240.00239	147.2
[M+HCOO]-	302.00333	170.3
[M+CH3COO]-	316.01898	193.4
[M+Na-2H]-	277.97980	155.0
[M]+	257.00458	167.8
[M]-	257.00568	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe