CID 53216701

2-bromo-5-(dimethylamino)benzoic acid

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

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

InChI

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

InChIKey

HICSXUAAJBEMKP-UHFFFAOYSA-N

Compound name

2-bromo-5-(dimethylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	243.996766	143.2
[M+Na]+	265.978708	154.1
[M-H]-	241.982214	149.8
[M+NH4]+	261.023313	164.0
[M+K]+	281.952648	144.1
[M+H-H2O]+	225.986750	142.6
[M+HCOO]-	287.987691	164.6
[M+CH3COO]-	302.003341	193.2
[M+Na-2H]-	263.964156	148.7
[M]+	242.98894142	162.3
[M]-	242.99003858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe