CID 93395

2,2-dibromo-2-nitroethanol

Structural Information

Molecular Formula

C₂H₃Br₂NO₃

SMILES

C(C([N+](=O)[O-])(Br)Br)O

InChI

InChI=1S/C2H3Br2NO3/c3-2(4,1-6)5(7)8/h6H,1H2

InChIKey

FMNZAHDAULEOSO-UHFFFAOYSA-N

Compound name

2,2-dibromo-2-nitroethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1623
Patents: 246.84798 Da
Monoisotopic Mass: 0.9
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]+	247.85526	136.9
[M+Na]+	269.83720	147.4
[M-H]-	245.84070	140.3
[M+NH4]+	264.88180	156.3
[M+K]+	285.81114	129.0
[M+H-H2O]+	229.84524	147.9
[M+HCOO]-	291.84618	152.4
[M+CH3COO]-	305.86183	188.1
[M+Na-2H]-	267.82265	146.2
[M]+	246.84743	169.5
[M]-	246.84853	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe