CID 84767278

2-(1,1-difluoroethyl)-1,3-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H5F2NOS
SMILES
CC(C1=NC(=CS1)C=O)(F)F
InChI
InChI=1S/C6H5F2NOS/c1-6(7,8)5-9-4(2-10)3-11-5/h2-3H,1H3
InChIKey
QYUPEHAELUHFRF-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-1,3-thiazole-4-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]+ 178.013276 130.7
[M+Na]+ 199.995218 141.4
[M-H]- 175.998724 131.3
[M+NH4]+ 195.039823 152.2
[M+K]+ 215.969158 139.1
[M+H-H2O]+ 160.003260 123.9
[M+HCOO]- 222.004201 147.3
[M+CH3COO]- 236.019851 176.9
[M+Na-2H]- 197.980666 133.4
[M]+ 177.00545142 131.4
[M]- 177.00654858 131.4
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.