CID 67544203

1140917-14-1

Structural Information

Molecular Formula

C₆H₆F₃N₃S

SMILES

C1CC1(C2=NN=C(S2)N)C(F)(F)F

InChI

InChI=1S/C6H6F3N3S/c7-6(8,9)5(1-2-5)3-11-12-4(10)13-3/h1-2H2,(H2,10,12)

InChIKey

AMHUABXWQISYMP-UHFFFAOYSA-N

Compound name

5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.02345 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]+	210.03073	131.7
[M+Na]+	232.01267	143.3
[M-H]-	208.01617	133.0
[M+NH4]+	227.05727	146.9
[M+K]+	247.98661	139.5
[M+H-H2O]+	192.02071	123.3
[M+HCOO]-	254.02165	146.3
[M+CH3COO]-	268.03730	186.0
[M+Na-2H]-	229.99812	135.5
[M]+	209.02290	130.9
[M]-	209.02400	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe