CID 72207201

1379318-90-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.