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

5
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 133.9
[M+Na]+ 216.98537 143.0
[M-H]- 192.98887 132.5
[M+NH4]+ 212.02997 153.0
[M+K]+ 232.95931 140.3
[M+H-H2O]+ 176.99341 126.8
[M+HCOO]- 238.99435 148.7
[M+CH3COO]- 253.01000 178.3
[M+Na-2H]- 214.97082 135.3
[M]+ 193.99560 131.3
[M]- 193.99670 131.3
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

patents stripe