CID 84767280

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

Structural Information

Molecular Formula
C6H5F2NOS
SMILES
CC(C1=NC=C(S1)C=O)(F)F
InChI
InChI=1S/C6H5F2NOS/c1-6(7,8)5-9-2-4(3-10)11-5/h2-3H,1H3
InChIKey
OTYMBBCRNNCHJW-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.006 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.01328 138.0
[M+Na]+ 199.99522 147.1
[M+NH4]+ 195.03982 144.9
[M+K]+ 215.96916 142.0
[M-H]- 175.99872 135.4
[M+Na-2H]- 197.98067 141.3
[M]+ 177.00545 138.8
[M]- 177.00655 138.8
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.