CID 291850

59504-32-4

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂O₂

SMILES

C1CCN(C1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C10H11BrN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2

InChIKey

RTJSJJAEUUKHDP-UHFFFAOYSA-N

Compound name

1-(4-bromo-2-nitrophenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 270.0004 Da
Monoisotopic Mass: 3.1
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]+	271.007676	155.4
[M+Na]+	292.989618	165.0
[M-H]-	268.993124	163.3
[M+NH4]+	288.034223	175.0
[M+K]+	308.963558	150.6
[M+H-H2O]+	252.997660	158.5
[M+HCOO]-	314.998601	176.3
[M+CH3COO]-	329.014251	187.2
[M+Na-2H]-	290.975066	161.5
[M]+	269.99985142	170.5
[M]-	270.00094858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe