CID 3805896

2118305-84-1

Structural Information

Molecular Formula
C5H4F3NS
SMILES
C1=C(SC(=C1)N)C(F)(F)F
InChI
InChI=1S/C5H4F3NS/c6-5(7,8)3-1-2-4(9)10-3/h1-2H,9H2
InChIKey
JUDFVTYLQYHGKG-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)thiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

167.00165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.008926 125.6
[M+Na]+ 189.990868 135.6
[M-H]- 165.994374 125.7
[M+NH4]+ 185.035473 148.2
[M+K]+ 205.964808 132.7
[M+H-H2O]+ 149.998910 118.4
[M+HCOO]- 211.999851 142.5
[M+CH3COO]- 226.015501 176.4
[M+Na-2H]- 187.976316 127.8
[M]+ 167.00110142 121.6
[M]- 167.00219858 121.6
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

patents stripe