CID 2773502

Methyl 2-bromothiazole-5-carboxylate

Structural Information

Molecular Formula
C5H4BrNO2S
SMILES
COC(=O)C1=CN=C(S1)Br
InChI
InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
InChIKey
HNLVIKMXFBRZDF-UHFFFAOYSA-N
Compound name
methyl 2-bromo-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

690
Patents

220.91461 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.92189 129.1
[M+Na]+ 243.90383 143.2
[M-H]- 219.90733 135.4
[M+NH4]+ 238.94843 152.7
[M+K]+ 259.87777 133.3
[M+H-H2O]+ 203.91187 129.9
[M+HCOO]- 265.91281 147.0
[M+CH3COO]- 279.92846 181.0
[M+Na-2H]- 241.88928 133.9
[M]+ 220.91406 151.5
[M]- 220.91516 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe