CID 3024550

67189-31-5

Structural Information

Molecular Formula

C₁₀H₁₂FNS

SMILES

CN1CCSC1C2=CC=C(C=C2)F

InChI

InChI=1S/C10H12FNS/c1-12-6-7-13-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3

InChIKey

VVWKHNPCHBJUFD-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-3-methyl-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 197.06744 Da
Monoisotopic Mass: 2.4
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]+	198.07472	139.3
[M+Na]+	220.05666	148.2
[M-H]-	196.06016	143.8
[M+NH4]+	215.10126	160.1
[M+K]+	236.03060	144.7
[M+H-H2O]+	180.06470	132.1
[M+HCOO]-	242.06564	155.6
[M+CH3COO]-	256.08129	152.5
[M+Na-2H]-	218.04211	139.6
[M]+	197.06689	137.7
[M]-	197.06799	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe