CID 2736625

135873-35-7

Structural Information

Molecular Formula

C₁₁H₇ClF₃NS

SMILES

C1=CC(=CC=C1C2=NC(=CS2)CCl)C(F)(F)F

InChI

InChI=1S/C11H7ClF3NS/c12-5-9-6-17-10(16-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2

InChIKey

QOWNNZROJKFRSK-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 276.994 Da
Monoisotopic Mass: 3.9
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]+	278.00128	158.4
[M+Na]+	299.98322	169.2
[M+NH4]+	295.02782	165.4
[M+K]+	315.95716	162.1
[M-H]-	275.98672	157.4
[M+Na-2H]-	297.96867	163.9
[M]+	276.99345	160.2
[M]-	276.99455	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe