CID 83670174

88982-79-0

Structural Information

Molecular Formula
C4H2BrNOS
SMILES
C1=C(C(=NS1)C=O)Br
InChI
InChI=1S/C4H2BrNOS/c5-3-2-8-6-4(3)1-7/h1-2H
InChIKey
RPYFJDIQHJSSRU-UHFFFAOYSA-N
Compound name
4-bromo-1,2-thiazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.90405 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe