CID 129916995

7-fluoro-4-methoxy-1h-indole-2-carbonitrile

Structural Information

Molecular Formula

C₁₀H₇FN₂O

SMILES

COC1=C2C=C(NC2=C(C=C1)F)C#N

InChI

InChI=1S/C10H7FN2O/c1-14-9-3-2-8(11)10-7(9)4-6(5-12)13-10/h2-4,13H,1H3

InChIKey

RGPPPJDPFGMCFV-UHFFFAOYSA-N

Compound name

7-fluoro-4-methoxy-1H-indole-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 190.05424 Da
Monoisotopic Mass: 2.2
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]+	191.06152	139.5
[M+Na]+	213.04346	152.3
[M+NH4]+	208.08806	144.1
[M+K]+	229.01740	144.0
[M-H]-	189.04696	132.3
[M+Na-2H]-	211.02891	142.6
[M]+	190.05369	138.4
[M]-	190.05479	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe