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

8
Patents

167.00165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.00893 125.6
[M+Na]+ 189.99087 135.6
[M-H]- 165.99437 125.7
[M+NH4]+ 185.03547 148.2
[M+K]+ 205.96481 132.7
[M+H-H2O]+ 149.99891 118.4
[M+HCOO]- 211.99985 142.5
[M+CH3COO]- 226.01550 176.4
[M+Na-2H]- 187.97632 127.8
[M]+ 167.00110 121.6
[M]- 167.00220 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