CID 20231442

2580238-51-1

Structural Information

Molecular Formula

C₁₀H₉FN₂

SMILES

C1=CN(C=C1)C2=C(C=CC(=C2)N)F

InChI

InChI=1S/C10H9FN2/c11-9-4-3-8(12)7-10(9)13-5-1-2-6-13/h1-7H,12H2

InChIKey

CMCIOSJEJUJJDQ-UHFFFAOYSA-N

Compound name

4-fluoro-3-pyrrol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 176.07498 Da
Monoisotopic Mass: 1.7
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]+	177.082256	133.6
[M+Na]+	199.064198	143.0
[M-H]-	175.067704	138.0
[M+NH4]+	194.108803	153.9
[M+K]+	215.038138	139.2
[M+H-H2O]+	159.072240	125.7
[M+HCOO]-	221.073181	158.3
[M+CH3COO]-	235.088831	147.5
[M+Na-2H]-	197.049646	138.8
[M]+	176.07443142	130.6
[M]-	176.07552858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe