CID 13747810

107507-53-9

Structural Information

Molecular Formula

C₈H₁₀F₃N₃S

SMILES

C1CN(CCN1)C2=NC(=CS2)C(F)(F)F

InChI

InChI=1S/C8H10F3N3S/c9-8(10,11)6-5-15-7(13-6)14-3-1-12-2-4-14/h5,12H,1-4H2

InChIKey

WKUALTYNBYXZGQ-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 237.05475 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]+	238.06203	150.6
[M+Na]+	260.04397	157.6
[M+NH4]+	255.08857	155.9
[M+K]+	276.01791	153.1
[M-H]-	236.04747	147.1
[M+Na-2H]-	258.02942	153.3
[M]+	237.05420	150.5
[M]-	237.05530	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe