CID 18617

Dibromoacetonitrile

Structural Information

Molecular Formula

SMILES

C(#N)C(Br)Br

InChI

InChI=1S/C2HBr2N/c3-2(4)1-5/h2H

InChIKey

NDSBDLSWTGLNQA-UHFFFAOYSA-N

Compound name

2,2-dibromoacetonitrile

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 49
References: 379
Patents: 196.84756 Da
Monoisotopic Mass: 1.7
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]+	197.85484	108.4
[M+Na]+	219.83678	121.6
[M-H]-	195.84028	111.0
[M+NH4]+	214.88138	128.5
[M+K]+	235.81072	107.2
[M+H-H2O]+	179.84482	110.7
[M+HCOO]-	241.84576	126.1
[M+CH3COO]-	255.86141	199.7
[M+Na-2H]-	217.82223	117.6
[M]+	196.84701	134.2
[M]-	196.84811	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe