CID 137937744

2-bromo-5-chloro-1,3-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C4HBrClNOS
SMILES
C(=O)C1=C(SC(=N1)Br)Cl
InChI
InChI=1S/C4HBrClNOS/c5-4-7-2(1-8)3(6)9-4/h1H
InChIKey
SBBKJBHLRJIPLG-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.86508 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.87236 125.6
[M+Na]+ 247.85430 142.2
[M-H]- 223.85780 132.3
[M+NH4]+ 242.89890 150.2
[M+K]+ 263.82824 129.7
[M+H-H2O]+ 207.86234 127.6
[M+HCOO]- 269.86328 140.1
[M+CH3COO]- 283.87893 180.8
[M+Na-2H]- 245.83975 130.9
[M]+ 224.86453 148.8
[M]- 224.86563 148.8
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.