CID 5708483

5-fluoro-3-(2-nitrovinyl)indole

Structural Information

Molecular Formula

C₁₀H₇FN₂O₂

SMILES

C1=CC2=C(C=C1F)C(=CN2)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C10H7FN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H/b4-3+

InChIKey

RFGJWSVNMVSDEH-ONEGZZNKSA-N

Compound name

5-fluoro-3-[(E)-2-nitroethenyl]-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.04915 Da
Monoisotopic Mass: 2.9
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]+	207.05643	138.7
[M+Na]+	229.03837	148.4
[M-H]-	205.04187	140.2
[M+NH4]+	224.08297	158.0
[M+K]+	245.01231	139.7
[M+H-H2O]+	189.04641	136.4
[M+HCOO]-	251.04735	162.6
[M+CH3COO]-	265.06300	176.0
[M+Na-2H]-	227.02382	147.0
[M]+	206.04860	136.3
[M]-	206.04970	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe