CID 154879069

2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C5H2ClF2NO2S
SMILES
C1=C(SC(=N1)Cl)C(C(=O)O)(F)F
InChI
InChI=1S/C5H2ClF2NO2S/c6-4-9-1-2(12-4)5(7,8)3(10)11/h1H,(H,10,11)
InChIKey
AGBKZSVKBVUTPH-UHFFFAOYSA-N
Compound name
2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.94629 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.95357 134.8
[M+Na]+ 235.93551 145.4
[M-H]- 211.93901 134.2
[M+NH4]+ 230.98011 154.7
[M+K]+ 251.90945 141.6
[M+H-H2O]+ 195.94355 129.0
[M+HCOO]- 257.94449 144.8
[M+CH3COO]- 271.96014 177.9
[M+Na-2H]- 233.92096 136.4
[M]+ 212.94574 135.8
[M]- 212.94684 135.8
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.