CID 136575771

2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C5H4F2N2O2S
SMILES
C1=C(N=C(S1)N)C(C(=O)O)(F)F
InChI
InChI=1S/C5H4F2N2O2S/c6-5(7,3(10)11)2-1-12-4(8)9-2/h1H,(H2,8,9)(H,10,11)
InChIKey
PNBALRNMXYYYDO-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99615 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00343 137.6
[M+Na]+ 216.98537 143.9
[M+NH4]+ 212.02997 142.8
[M+K]+ 232.95931 141.5
[M-H]- 192.98887 133.7
[M+Na-2H]- 214.97082 139.3
[M]+ 193.99560 137.2
[M]- 193.99670 137.2
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.