CID 19826566

(propan-2-yl)({[4-(trifluoromethyl)phenyl]methyl})amine

Structural Information

Molecular Formula
C11H14F3N
SMILES
CC(C)NCC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C11H14F3N/c1-8(2)15-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKey
WPZZZIHJKLUFKE-UHFFFAOYSA-N
Compound name
N-[[4-(trifluoromethyl)phenyl]methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

217.10783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11511 145.6
[M+Na]+ 240.09705 152.6
[M-H]- 216.10055 145.2
[M+NH4]+ 235.14165 164.0
[M+K]+ 256.07099 149.8
[M+H-H2O]+ 200.10509 137.2
[M+HCOO]- 262.10603 164.7
[M+CH3COO]- 276.12168 192.2
[M+Na-2H]- 238.08250 149.8
[M]+ 217.10728 141.0
[M]- 217.10838 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe