CID 55296043

1-[5-(trifluoromethyl)-2-thienyl]ethylamine

Structural Information

Molecular Formula
C7H8F3NS
SMILES
CC(C1=CC=C(S1)C(F)(F)F)N
InChI
InChI=1S/C7H8F3NS/c1-4(11)5-2-3-6(12-5)7(8,9)10/h2-4H,11H2,1H3
InChIKey
LGPHUAZLZMPEML-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)thiophen-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.03296 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04024 142.9
[M+Na]+ 218.02218 149.4
[M+NH4]+ 213.06678 149.3
[M+K]+ 233.99612 145.1
[M-H]- 194.02568 140.1
[M+Na-2H]- 216.00763 145.1
[M]+ 195.03241 143.1
[M]- 195.03351 143.1
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