CID 38708

40912-87-6

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

CC1=CC(=CC(=C1O)C(=O)NC)Br

InChI

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

InChIKey

FGCDXTDNXMUIEB-UHFFFAOYSA-N

Compound name

5-bromo-2-hydroxy-N,3-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 242.98949 Da
Monoisotopic Mass: 3.2
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	143.6
[M+Na]+	265.97871	146.2
[M+NH4]+	261.02331	147.7
[M+K]+	281.95265	147.1
[M-H]-	241.98221	143.8
[M+Na-2H]-	263.96416	146.1
[M]+	242.98894	142.7
[M]-	242.99004	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe