CID 427359

Benzenemethanamine, 2-chloro-6-nitro-, hydrochloride (1:1)

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

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

InChI

InChI=1S/C7H7ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H,4,9H2

InChIKey

SPLDTOFRTGVWKF-UHFFFAOYSA-N

Compound name

(2-chloro-6-nitrophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 186.0196 Da
Monoisotopic Mass: 1.6
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]+	187.02688	135.0
[M+Na]+	209.00882	143.5
[M-H]-	185.01232	138.4
[M+NH4]+	204.05342	154.5
[M+K]+	224.98276	136.2
[M+H-H2O]+	169.01686	135.1
[M+HCOO]-	231.01780	157.2
[M+CH3COO]-	245.03345	176.6
[M+Na-2H]-	206.99427	142.2
[M]+	186.01905	134.2
[M]-	186.02015	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe