CID 136243

2-fluorothiophene

Structural Information

Molecular Formula

SMILES

C1=CSC(=C1)F

InChI

InChI=1S/C4H3FS/c5-4-2-1-3-6-4/h1-3H

InChIKey

DXHCHIJMMKQRKR-UHFFFAOYSA-N

Compound name

2-fluorothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1163
Patents: 101.99395 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]+	103.00123	112.3
[M+Na]+	124.98317	122.4
[M-H]-	100.98667	115.6
[M+NH4]+	120.02777	138.0
[M+K]+	140.95711	121.0
[M+H-H2O]+	84.991210	107.1
[M+HCOO]-	146.99215	133.0
[M+CH3COO]-	161.00780	163.3
[M+Na-2H]-	122.96862	116.7
[M]+	101.99340	112.4
[M]-	101.99450	112.4

Literature stripe

literature stripe

Patent stripe

patents stripe