CID 2775323

25366-22-7

Structural Information

Molecular Formula

C₄H₄F₃N₃S

SMILES

CNC1=NN=C(S1)C(F)(F)F

InChI

InChI=1S/C4H4F3N3S/c1-8-3-10-9-2(11-3)4(5,6)7/h1H3,(H,8,10)

InChIKey

ARAFQFMXQDBEPU-UHFFFAOYSA-N

Compound name

N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 49
Patents: 183.0078 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]+	184.01508	128.9
[M+Na]+	205.99702	139.5
[M-H]-	182.00052	127.0
[M+NH4]+	201.04162	148.6
[M+K]+	221.97096	137.0
[M+H-H2O]+	166.00506	120.2
[M+HCOO]-	228.00600	144.3
[M+CH3COO]-	242.02165	179.4
[M+Na-2H]-	203.98247	132.5
[M]+	183.00725	126.7
[M]-	183.00835	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe