CID 24212084

336624-08-9

Structural Information

Molecular Formula

C₈H₈Br₂N₂O

SMILES

CC(=O)NC1=C(C=C(C=C1Br)N)Br

InChI

InChI=1S/C8H8Br2N2O/c1-4(13)12-8-6(9)2-5(11)3-7(8)10/h2-3H,11H2,1H3,(H,12,13)

InChIKey

IVRWBDFGHCBGBF-UHFFFAOYSA-N

Compound name

N-(4-amino-2,6-dibromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 305.90033 Da
Monoisotopic Mass: 0.8
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]+	306.90761	144.4
[M+Na]+	328.88955	154.5
[M-H]-	304.89305	150.7
[M+NH4]+	323.93415	162.4
[M+K]+	344.86349	137.9
[M+H-H2O]+	288.89759	150.1
[M+HCOO]-	350.89853	161.1
[M+CH3COO]-	364.91418	208.2
[M+Na-2H]-	326.87500	149.5
[M]+	305.89978	176.1
[M]-	305.90088	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe