CID 72207201

2-bromo-5-methylthiazole-4-carbaldehyde

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 128.0
[M+Na]+ 227.90892 130.9
[M+NH4]+ 222.95352 133.3
[M+K]+ 243.88286 131.3
[M-H]- 203.91242 127.8
[M+Na-2H]- 225.89437 130.5
[M]+ 204.91915 127.5
[M]- 204.92025 127.5
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.