CID 140228090

Tert-butyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC(C)(C)OC(=O)C1=CSC(=N1)CCl
InChI
InChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)6-5-14-7(4-10)11-6/h5H,4H2,1-3H3
InChIKey
WRQMYAZECYPJBL-UHFFFAOYSA-N
Compound name
tert-butyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.02773 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 152.3
[M+Na]+ 256.01695 162.9
[M+NH4]+ 251.06155 160.1
[M+K]+ 271.99089 157.4
[M-H]- 232.02045 152.0
[M+Na-2H]- 254.00240 155.9
[M]+ 233.02718 154.4
[M]- 233.02828 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.