CID 19709911

160001-93-4

Structural Information

Molecular Formula
C12H14F3N
SMILES
C1CCC(C1)(C2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C12H14F3N/c13-12(14,15)10-5-3-9(4-6-10)11(16)7-1-2-8-11/h3-6H,1-2,7-8,16H2
InChIKey
GJXBCMBARUYZGT-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

229.10783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11511 147.8
[M+Na]+ 252.09705 154.9
[M-H]- 228.10055 150.0
[M+NH4]+ 247.14165 168.8
[M+K]+ 268.07099 150.9
[M+H-H2O]+ 212.10509 139.6
[M+HCOO]- 274.10603 166.4
[M+CH3COO]- 288.12168 189.4
[M+Na-2H]- 250.08250 151.2
[M]+ 229.10728 139.0
[M]- 229.10838 139.0
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