CID 165972733

1-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one

Structural Information

Molecular Formula
C5H2ClF2NOS
SMILES
C1=C(SC(=N1)Cl)C(=O)C(F)F
InChI
InChI=1S/C5H2ClF2NOS/c6-5-9-1-2(11-5)3(10)4(7)8/h1,4H
InChIKey
FELZOVDGUFSQGJ-UHFFFAOYSA-N
Compound name
1-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.95137 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.95865 130.3
[M+Na]+ 219.94059 140.9
[M-H]- 195.94409 130.9
[M+NH4]+ 214.98519 151.5
[M+K]+ 235.91453 137.6
[M+H-H2O]+ 179.94863 123.9
[M+HCOO]- 241.94957 142.0
[M+CH3COO]- 255.96522 179.1
[M+Na-2H]- 217.92604 130.3
[M]+ 196.95082 131.8
[M]- 196.95192 131.8
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.