CID 43825135

1803598-40-4

Structural Information

Molecular Formula
C13H16F3N
SMILES
C1CCC(C1)C(C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C13H16F3N/c14-13(15,16)11-7-3-6-10(8-11)12(17)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5,17H2
InChIKey
OXRDRCOYBZJEEH-UHFFFAOYSA-N
Compound name
cyclopentyl-[3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12349 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.130766 152.9
[M+Na]+ 266.112708 158.2
[M-H]- 242.116214 154.6
[M+NH4]+ 261.157313 171.2
[M+K]+ 282.086648 154.3
[M+H-H2O]+ 226.120750 143.9
[M+HCOO]- 288.121691 170.1
[M+CH3COO]- 302.137341 193.7
[M+Na-2H]- 264.098156 153.3
[M]+ 243.12294142 143.5
[M]- 243.12403858 143.5
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.