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]+ 244.13077 152.9
[M+Na]+ 266.11271 158.2
[M-H]- 242.11621 154.6
[M+NH4]+ 261.15731 171.2
[M+K]+ 282.08665 154.3
[M+H-H2O]+ 226.12075 143.9
[M+HCOO]- 288.12169 170.1
[M+CH3COO]- 302.13734 193.7
[M+Na-2H]- 264.09816 153.3
[M]+ 243.12294 143.5
[M]- 243.12404 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.