CID 3062025

Alpha-(m-trifluoromethylbenzyl)-2-thenylamine hydrochloride

Structural Information

Molecular Formula
C13H12F3NS
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CC(C2=CC=CS2)N
InChI
InChI=1S/C13H12F3NS/c14-13(15,16)10-4-1-3-9(7-10)8-11(17)12-5-2-6-18-12/h1-7,11H,8,17H2
InChIKey
HTKVAVOGQWDZHG-UHFFFAOYSA-N
Compound name
1-thiophen-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06427 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07155 156.0
[M+Na]+ 294.05349 163.9
[M-H]- 270.05699 158.6
[M+NH4]+ 289.09809 174.1
[M+K]+ 310.02743 158.8
[M+H-H2O]+ 254.06153 147.1
[M+HCOO]- 316.06247 171.1
[M+CH3COO]- 330.07812 196.7
[M+Na-2H]- 292.03894 155.7
[M]+ 271.06372 152.2
[M]- 271.06482 152.2
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.