CID 90404468

1628317-82-7

Structural Information

Molecular Formula
C7H7F3N2OS
SMILES
C1=C(SC(=C1C(=O)N)N)CC(F)(F)F
InChI
InChI=1S/C7H7F3N2OS/c8-7(9,10)2-3-1-4(5(11)13)6(12)14-3/h1H,2,12H2,(H2,11,13)
InChIKey
CNZNHOKCAAJNCF-UHFFFAOYSA-N
Compound name
2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

224.02312 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.030396 141.0
[M+Na]+ 247.012338 149.7
[M-H]- 223.015844 140.4
[M+NH4]+ 242.056943 160.5
[M+K]+ 262.986278 146.1
[M+H-H2O]+ 207.020380 133.0
[M+HCOO]- 269.021321 156.8
[M+CH3COO]- 283.036971 189.8
[M+Na-2H]- 244.997786 140.1
[M]+ 224.02257142 136.3
[M]- 224.02366858 136.3
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