CID 24229786

Tert-butyl 2-chloro-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
CC(C)(C)OC(=O)C1=CN=C(S1)Cl
InChI
InChI=1S/C8H10ClNO2S/c1-8(2,3)12-6(11)5-4-10-7(9)13-5/h4H,1-3H3
InChIKey
SQZXVWDARSIXTM-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

219.01208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.01936 145.8
[M+Na]+ 242.00130 155.9
[M-H]- 218.00480 149.2
[M+NH4]+ 237.04590 166.7
[M+K]+ 257.97524 153.1
[M+H-H2O]+ 202.00934 141.3
[M+HCOO]- 264.01028 158.5
[M+CH3COO]- 278.02593 182.7
[M+Na-2H]- 239.98675 147.3
[M]+ 219.01153 151.9
[M]- 219.01263 151.9
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

patents stripe