CID 748107

57709-34-9

Structural Information

Molecular Formula

C₈H₁₁F₃N₄S

SMILES

CN1CCN(CC1)C2=NN=C(S2)C(F)(F)F

InChI

InChI=1S/C8H11F3N4S/c1-14-2-4-15(5-3-14)7-13-12-6(16-7)8(9,10)11/h2-5H2,1H3

InChIKey

QJSFDLRMJWUTTC-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 252.06566 Da
Monoisotopic Mass: 1.6
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]+	253.07294	155.1
[M+Na]+	275.05488	162.6
[M+NH4]+	270.09948	159.9
[M+K]+	291.02882	158.3
[M-H]-	251.05838	151.4
[M+Na-2H]-	273.04033	157.6
[M]+	252.06511	155.1
[M]-	252.06621	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe