CID 165993812

4-bromo-5-(1,3-dioxolan-2-yl)-1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H6BrNO3S
SMILES
C1COC(O1)C2=C(N=C(S2)C=O)Br
InChI
InChI=1S/C7H6BrNO3S/c8-6-5(7-11-1-2-12-7)13-4(3-10)9-6/h3,7H,1-2H2
InChIKey
FPNHXROSIFLGEJ-UHFFFAOYSA-N
Compound name
4-bromo-5-(1,3-dioxolan-2-yl)-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.92517 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.93245 142.6
[M+Na]+ 285.91439 156.5
[M-H]- 261.91789 153.0
[M+NH4]+ 280.95899 163.8
[M+K]+ 301.88833 148.8
[M+H-H2O]+ 245.92243 144.5
[M+HCOO]- 307.92337 159.3
[M+CH3COO]- 321.93902 159.0
[M+Na-2H]- 283.89984 146.2
[M]+ 262.92462 164.9
[M]- 262.92572 164.9
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

No patent data available for this compound.