CID 22717671

682342-65-0

Structural Information

Molecular Formula

C₄H₂F₃IN₂S

SMILES

C1(=C(SC(=N1)N)I)C(F)(F)F

InChI

InChI=1S/C4H2F3IN2S/c5-4(6,7)1-2(8)11-3(9)10-1/h(H2,9,10)

InChIKey

OUIRKYPQKWDIHQ-UHFFFAOYSA-N

Compound name

5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 293.89355 Da
Monoisotopic Mass: 2.2
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]+	294.90083	137.8
[M+Na]+	316.88277	141.7
[M-H]-	292.88627	130.3
[M+NH4]+	311.92737	153.6
[M+K]+	332.85671	144.5
[M+H-H2O]+	276.89081	126.6
[M+HCOO]-	338.89175	148.9
[M+CH3COO]-	352.90740	188.6
[M+Na-2H]-	314.86822	127.7
[M]+	293.89300	132.2
[M]-	293.89410	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe