CID 24694121

1016757-34-8

Structural Information

Molecular Formula

C₁₁H₇FN₂S

SMILES

C1=CC=C(C(=C1)C2=CSC(=N2)CC#N)F

InChI

InChI=1S/C11H7FN2S/c12-9-4-2-1-3-8(9)10-7-15-11(14-10)5-6-13/h1-4,7H,5H2

InChIKey

JRHONXLZYUYQPL-UHFFFAOYSA-N

Compound name

2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 218.0314 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]+	219.03868	143.0
[M+Na]+	241.02062	155.8
[M+NH4]+	236.06522	148.5
[M+K]+	256.99456	145.1
[M-H]-	217.02412	138.1
[M+Na-2H]-	239.00607	148.1
[M]+	218.03085	143.1
[M]-	218.03195	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe