CID 2763187

4-bromothiazole-2-carboxaldehyde

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

606
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 120.8
[M+Na]+ 213.89327 135.8
[M-H]- 189.89677 127.2
[M+NH4]+ 208.93787 145.6
[M+K]+ 229.86721 125.3
[M+H-H2O]+ 173.90131 121.9
[M+HCOO]- 235.90225 139.8
[M+CH3COO]- 249.91790 176.2
[M+Na-2H]- 211.87872 127.0
[M]+ 190.90350 142.2
[M]- 190.90460 142.2
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