CID 72213249

1260663-10-2

Structural Information

Molecular Formula

C₄H₄F₃N₃S

SMILES

C(C1=NN=C(S1)C(F)(F)F)N

InChI

InChI=1S/C4H4F3N3S/c5-4(6,7)3-10-9-2(1-8)11-3/h1,8H2

InChIKey

KWYLYFGZJUXFNL-UHFFFAOYSA-N

Compound name

[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.0078 Da
Monoisotopic Mass: 0.2
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	135.1
[M+Na]+	205.99702	142.0
[M+NH4]+	201.04162	140.5
[M+K]+	221.97096	138.2
[M-H]-	182.00052	131.0
[M+Na-2H]-	203.98247	137.6
[M]+	183.00725	134.9
[M]-	183.00835	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe