CID 45121148

Refchem:422009

Structural Information

Molecular Formula

C₇H₇FN₂O₂

SMILES

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

InChI

InChI=1S/C7H7FN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H,4,9H2

InChIKey

PFNBFQGEYYHVRJ-UHFFFAOYSA-N

Compound name

(2-fluoro-4-nitrophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 170.04915 Da
Monoisotopic Mass: 0.7
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]+	171.056426	129.3
[M+Na]+	193.038368	137.5
[M-H]-	169.041874	131.9
[M+NH4]+	188.082973	148.7
[M+K]+	209.012308	131.5
[M+H-H2O]+	153.046410	127.5
[M+HCOO]-	215.047351	155.1
[M+CH3COO]-	229.063001	175.4
[M+Na-2H]-	191.023816	136.7
[M]+	170.04860142	125.4
[M]-	170.04969858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe