CID 155576720

Ethyl 2-bromo-4-formylthiazole-5-carboxylate

Structural Information

Molecular Formula
C7H6BrNO3S
SMILES
CCOC(=O)C1=C(N=C(S1)Br)C=O
InChI
InChI=1S/C7H6BrNO3S/c1-2-12-6(11)5-4(3-10)9-7(8)13-5/h3H,2H2,1H3
InChIKey
ZMFWKTLFEUTXNP-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-4-formyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.92517 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.93245 138.9
[M+Na]+ 285.91439 153.0
[M-H]- 261.91789 145.1
[M+NH4]+ 280.95899 160.9
[M+K]+ 301.88833 142.3
[M+H-H2O]+ 245.92243 139.4
[M+HCOO]- 307.92337 156.5
[M+CH3COO]- 321.93902 188.7
[M+Na-2H]- 283.89984 142.2
[M]+ 262.92462 162.9
[M]- 262.92572 162.9
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