CID 118990019

1956379-59-1

Structural Information

Molecular Formula
C5HBrF3NOS
SMILES
C(=O)C1=C(N=C(S1)C(F)(F)F)Br
InChI
InChI=1S/C5HBrF3NOS/c6-3-2(1-11)12-4(10-3)5(7,8)9/h1H
InChIKey
PGMONSGAQHRSDJ-UHFFFAOYSA-N
Compound name
4-bromo-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.89142 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.89870 136.3
[M+Na]+ 281.88064 151.9
[M-H]- 257.88414 139.1
[M+NH4]+ 276.92524 158.5
[M+K]+ 297.85458 140.1
[M+H-H2O]+ 241.88868 135.1
[M+HCOO]- 303.88962 150.4
[M+CH3COO]- 317.90527 187.4
[M+Na-2H]- 279.86609 140.2
[M]+ 258.89087 154.4
[M]- 258.89197 154.4
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.