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

19
Patents

219.01208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.019356 145.8
[M+Na]+ 242.001298 155.9
[M-H]- 218.004804 149.2
[M+NH4]+ 237.045903 166.7
[M+K]+ 257.975238 153.1
[M+H-H2O]+ 202.009340 141.3
[M+HCOO]- 264.010281 158.5
[M+CH3COO]- 278.025931 182.7
[M+Na-2H]- 239.986746 147.3
[M]+ 219.01153142 151.9
[M]- 219.01262858 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