CID 849367

221558-28-7

Structural Information

Molecular Formula
C5H4BrNOS
SMILES
CC1=NC(=C(S1)Br)C=O
InChI
InChI=1S/C5H4BrNOS/c1-3-7-4(2-8)5(6)9-3/h2H,1H3
InChIKey
OUQBLRHOOXUPAB-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.9197 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.92698 124.6
[M+Na]+ 227.90892 140.0
[M-H]- 203.91242 131.2
[M+NH4]+ 222.95352 149.1
[M+K]+ 243.88286 129.1
[M+H-H2O]+ 187.91696 125.7
[M+HCOO]- 249.91790 143.2
[M+CH3COO]- 263.93355 180.0
[M+Na-2H]- 225.89437 129.7
[M]+ 204.91915 146.6
[M]- 204.92025 146.6
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