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: 1281
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	148.7
[M+Na]+	269.83720	142.3
[M+NH4]+	264.88180	149.9
[M+K]+	285.81114	151.1
[M-H]-	245.84070	147.8
[M+Na-2H]-	267.82265	147.7
[M]+	246.84743	146.3
[M]-	246.84853	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe