CID 3852893

Tribromoacetonitrile

Structural Information

Molecular Formula

SMILES

C(#N)C(Br)(Br)Br

InChI

InChI=1S/C2Br3N/c3-2(4,5)1-6

InChIKey

WDNIHYDTZZOFLR-UHFFFAOYSA-N

Compound name

2,2,2-tribromoacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 274.7581 Da
Monoisotopic Mass: 2.3
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]+	275.76538	112.3
[M+Na]+	297.74732	122.9
[M-H]-	273.75082	114.0
[M+NH4]+	292.79192	127.5
[M+K]+	313.72126	107.7
[M+H-H2O]+	257.75536	122.0
[M+HCOO]-	319.75630	125.2
[M+CH3COO]-	333.77195	218.4
[M+Na-2H]-	295.73277	120.7
[M]+	274.75755	145.6
[M]-	274.75865	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe