CID 137935458

4-bromo-2-(difluoromethyl)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H2BrF2NOS
SMILES
C(=O)C1=C(N=C(S1)C(F)F)Br
InChI
InChI=1S/C5H2BrF2NOS/c6-3-2(1-10)11-5(9-3)4(7)8/h1,4H
InChIKey
RZZYKNPKZKPPLV-UHFFFAOYSA-N
Compound name
4-bromo-2-(difluoromethyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.90085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.90813 131.5
[M+Na]+ 263.89007 146.4
[M-H]- 239.89357 135.4
[M+NH4]+ 258.93467 154.3
[M+K]+ 279.86401 135.1
[M+H-H2O]+ 223.89811 130.7
[M+HCOO]- 285.89905 147.0
[M+CH3COO]- 299.91470 185.9
[M+Na-2H]- 261.87552 134.3
[M]+ 240.90030 150.7
[M]- 240.90140 150.7
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.