CID 3041572

54377-64-9

Structural Information

Molecular Formula

C₄H₈Br₂N₂O

SMILES

C(C(CBr)Br)NC(=O)N

InChI

InChI=1S/C4H8Br2N2O/c5-1-3(6)2-8-4(7)9/h3H,1-2H2,(H3,7,8,9)

InChIKey

DWZVRVQLOMGRPV-UHFFFAOYSA-N

Compound name

2,3-dibromopropylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 257.90033 Da
Monoisotopic Mass: 0.6
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]+	258.90761	137.2
[M+Na]+	280.88955	145.8
[M-H]-	256.89305	140.4
[M+NH4]+	275.93415	156.1
[M+K]+	296.86349	129.6
[M+H-H2O]+	240.89759	142.6
[M+HCOO]-	302.89853	152.9
[M+CH3COO]-	316.91418	200.6
[M+Na-2H]-	278.87500	142.4
[M]+	257.89978	167.8
[M]-	257.90088	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe