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 130.7
[M+Na]+ 199.99522 141.4
[M-H]- 175.99872 131.3
[M+NH4]+ 195.03982 152.2
[M+K]+ 215.96916 139.1
[M+H-H2O]+ 160.00326 123.9
[M+HCOO]- 222.00420 147.3
[M+CH3COO]- 236.01985 176.9
[M+Na-2H]- 197.98067 133.4
[M]+ 177.00545 131.4
[M]- 177.00655 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.