CID 45036

63887-23-0

Structural Information

Molecular Formula

C₁₀H₁₀Br₂N₂O

SMILES

C1CC1NC(=O)C2=CC(=C(C(=C2)Br)N)Br

InChI

InChI=1S/C10H10Br2N2O/c11-7-3-5(4-8(12)9(7)13)10(15)14-6-1-2-6/h3-4,6H,1-2,13H2,(H,14,15)

InChIKey

ZBZROZCBZIOIPF-UHFFFAOYSA-N

Compound name

4-amino-3,5-dibromo-N-cyclopropylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.916 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]+	332.92328	152.7
[M+Na]+	354.90522	163.8
[M-H]-	330.90872	161.8
[M+NH4]+	349.94982	166.3
[M+K]+	370.87916	146.4
[M+H-H2O]+	314.91326	157.9
[M+HCOO]-	376.91420	169.5
[M+CH3COO]-	390.92985	213.5
[M+Na-2H]-	352.89067	157.2
[M]+	331.91545	184.7
[M]-	331.91655	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe