CID 53418329

5-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C5H2F3NOS
SMILES
C1=C(SC(=N1)C=O)C(F)(F)F
InChI
InChI=1S/C5H2F3NOS/c6-5(7,8)3-1-9-4(2-10)11-3/h1-2H
InChIKey
GXVQGBUDNIUMEZ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.98093 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.98821 139.7
[M+Na]+ 203.97015 147.6
[M+NH4]+ 199.01475 145.5
[M+K]+ 219.94409 142.9
[M-H]- 179.97365 135.6
[M+Na-2H]- 201.95560 142.1
[M]+ 180.98038 139.7
[M]- 180.98148 139.7
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.