CID 154113702

Methyl 3-(bromomethyl)-1,2-thiazole-4-carboxylate

Structural Information

Molecular Formula
C6H6BrNO2S
SMILES
COC(=O)C1=CSN=C1CBr
InChI
InChI=1S/C6H6BrNO2S/c1-10-6(9)4-3-11-8-5(4)2-7/h3H,2H2,1H3
InChIKey
YBWVCUIMSROFAW-UHFFFAOYSA-N
Compound name
methyl 3-(bromomethyl)-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.93027 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.93755 134.8
[M+Na]+ 257.91949 136.4
[M+NH4]+ 252.96409 139.3
[M+K]+ 273.89343 137.6
[M-H]- 233.92299 133.9
[M+Na-2H]- 255.90494 136.6
[M]+ 234.92972 133.8
[M]- 234.93082 133.8
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.