CID 15290876

1051463-88-7

Structural Information

Molecular Formula

C₇H₁₀ClNS

SMILES

CC(C)C1=NC=C(S1)CCl

InChI

InChI=1S/C7H10ClNS/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3

InChIKey

QDERNLYZMPXHLG-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-2-propan-2-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 175.02225 Da
Monoisotopic Mass: 2.5
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]+	176.02953	134.2
[M+Na]+	198.01147	144.2
[M-H]-	174.01497	137.2
[M+NH4]+	193.05607	156.8
[M+K]+	213.98541	140.9
[M+H-H2O]+	158.01951	129.4
[M+HCOO]-	220.02045	147.9
[M+CH3COO]-	234.03610	177.9
[M+Na-2H]-	195.99692	135.1
[M]+	175.02170	138.3
[M]-	175.02280	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe