CID 5702889

100032-79-9

Structural Information

Molecular Formula

C₆H₆BrN₃O₂

SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])NN

InChI

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

InChIKey

RMMLHCYLAJHQDI-UHFFFAOYSA-N

Compound name

(4-bromo-2-nitrophenyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 230.96434 Da
Monoisotopic Mass: 2.3
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]+	231.971616	137.7
[M+Na]+	253.953558	147.8
[M-H]-	229.957064	143.7
[M+NH4]+	248.998163	157.5
[M+K]+	269.927498	132.8
[M+H-H2O]+	213.961600	140.3
[M+HCOO]-	275.962541	162.6
[M+CH3COO]-	289.978191	185.0
[M+Na-2H]-	251.939006	146.9
[M]+	230.96379142	152.7
[M]-	230.96488858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe