CID 53402499

(2-bromo-5-nitrophenyl)hydrazine dihydrochloride

Structural Information

Molecular Formula

C₆H₆BrN₃O₂

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NN)Br

InChI

InChI=1S/C6H6BrN3O2/c7-5-2-1-4(10(11)12)3-6(5)9-8/h1-3,9H,8H2

InChIKey

YGKPMXOMDNPDHO-UHFFFAOYSA-N

Compound name

(2-bromo-5-nitrophenyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 230.96434 Da
Monoisotopic Mass: 1.8
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]+	231.97162	137.7
[M+Na]+	253.95356	147.8
[M-H]-	229.95706	143.7
[M+NH4]+	248.99816	157.5
[M+K]+	269.92750	132.8
[M+H-H2O]+	213.96160	140.3
[M+HCOO]-	275.96254	162.6
[M+CH3COO]-	289.97819	185.0
[M+Na-2H]-	251.93901	146.9
[M]+	230.96379	152.7
[M]-	230.96489	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe