CID 42817

5-bromo-2-methoxy-3-methylbenzamide

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

CC1=CC(=CC(=C1OC)C(=O)N)Br

InChI

InChI=1S/C9H10BrNO2/c1-5-3-6(10)4-7(9(11)12)8(5)13-2/h3-4H,1-2H3,(H2,11,12)

InChIKey

QPNZLTGSRAEQOP-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxy-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.98949 Da
Monoisotopic Mass: 2.5
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]+	243.99677	143.0
[M+Na]+	265.97871	145.8
[M+NH4]+	261.02331	147.3
[M+K]+	281.95265	146.7
[M-H]-	241.98221	143.5
[M+Na-2H]-	263.96416	145.7
[M]+	242.98894	142.2
[M]-	242.99004	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe