CID 43825134

1803598-33-5

Structural Information

Molecular Formula
C12H14F3N
SMILES
C1CC(C1)C(C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C12H14F3N/c13-12(14,15)10-6-2-5-9(7-10)11(16)8-3-1-4-8/h2,5-8,11H,1,3-4,16H2
InChIKey
QCRHNPDAGIZQGD-UHFFFAOYSA-N
Compound name
cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.10783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11511 150.6
[M+Na]+ 252.09705 155.7
[M-H]- 228.10055 152.5
[M+NH4]+ 247.14165 161.5
[M+K]+ 268.07099 155.3
[M+H-H2O]+ 212.10509 136.4
[M+HCOO]- 274.10603 167.0
[M+CH3COO]- 288.12168 195.6
[M+Na-2H]- 250.08250 152.6
[M]+ 229.10728 151.3
[M]- 229.10838 151.3
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.