CID 22391551

(4-bromo-2-nitrophenyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₇H₇BrN₂O₂

SMILES

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

InChI

InChI=1S/C7H7BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H,4,9H2

InChIKey

XHIHORXRWODQHL-UHFFFAOYSA-N

Compound name

(4-bromo-2-nitrophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 229.96909 Da
Monoisotopic Mass: 1.3
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]+	230.97637	140.2
[M+Na]+	252.95831	151.1
[M-H]-	228.96181	146.4
[M+NH4]+	248.00291	160.6
[M+K]+	268.93225	136.2
[M+H-H2O]+	212.96635	143.6
[M+HCOO]-	274.96729	164.1
[M+CH3COO]-	288.98294	183.3
[M+Na-2H]-	250.94376	148.6
[M]+	229.96854	156.5
[M]-	229.96964	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe