CID 47435796

4-bromo-2-hydroxy-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

CN(C)C(=O)C1=C(C=C(C=C1)Br)O

InChI

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

InChIKey

XTDKZCLZWZIPGN-UHFFFAOYSA-N

Compound name

4-bromo-2-hydroxy-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.98949 Da
Monoisotopic Mass: 1.1
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]+	243.996766	143.4
[M+Na]+	265.978708	154.3
[M-H]-	241.982214	150.0
[M+NH4]+	261.023313	164.3
[M+K]+	281.952648	144.3
[M+H-H2O]+	225.986750	142.8
[M+HCOO]-	287.987691	164.8
[M+CH3COO]-	302.003341	192.6
[M+Na-2H]-	263.964156	148.8
[M]+	242.98894142	162.4
[M]-	242.99003858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe