CID 83854766

Ethyl 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetate

Structural Information

Molecular Formula
C7H8F2N2O2S
SMILES
CCOC(=O)C(C1=CSC(=N1)N)(F)F
InChI
InChI=1S/C7H8F2N2O2S/c1-2-13-5(12)7(8,9)4-3-14-6(10)11-4/h3H,2H2,1H3,(H2,10,11)
InChIKey
GDBMSRIBYRPJFM-UHFFFAOYSA-N
Compound name
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

222.02745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03473 143.0
[M+Na]+ 245.01667 151.7
[M-H]- 221.02017 142.8
[M+NH4]+ 240.06127 161.8
[M+K]+ 260.99061 149.5
[M+H-H2O]+ 205.02471 135.3
[M+HCOO]- 267.02565 158.7
[M+CH3COO]- 281.04130 186.2
[M+Na-2H]- 243.00212 143.9
[M]+ 222.02690 142.9
[M]- 222.02800 142.9
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