CID 2763187

4-bromo-2-formylthiazole

Structural Information

Molecular Formula
C4H2BrNOS
SMILES
C1=C(N=C(S1)C=O)Br
InChI
InChI=1S/C4H2BrNOS/c5-3-2-8-4(1-7)6-3/h1-2H
InChIKey
JDUXMFGFGCJNGO-UHFFFAOYSA-N
Compound name
4-bromo-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

552
Patents

190.90405 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.91133 123.8
[M+Na]+ 213.89327 126.6
[M+NH4]+ 208.93787 129.3
[M+K]+ 229.86721 127.0
[M-H]- 189.89677 123.6
[M+Na-2H]- 211.87872 126.7
[M]+ 190.90350 123.2
[M]- 190.90460 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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