CID 125512715

Ethyl 2-amino-5-chloro-4-(trifluoromethyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C8H7ClF3NO2S
SMILES
CCOC(=O)C1=C(SC(=C1C(F)(F)F)Cl)N
InChI
InChI=1S/C8H7ClF3NO2S/c1-2-15-7(14)3-4(8(10,11)12)5(9)16-6(3)13/h2,13H2,1H3
InChIKey
YLHKTWCNQSNASA-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-chloro-4-(trifluoromethyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.98383 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.99111 150.4
[M+Na]+ 295.97305 161.0
[M-H]- 271.97655 150.8
[M+NH4]+ 291.01765 169.9
[M+K]+ 311.94699 156.4
[M+H-H2O]+ 255.98109 144.0
[M+HCOO]- 317.98203 161.4
[M+CH3COO]- 331.99768 194.8
[M+Na-2H]- 293.95850 148.8
[M]+ 272.98328 151.6
[M]- 272.98438 151.6
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.