CID 28430469

(cyclopropylmethyl)({[2-(trifluoromethyl)phenyl]methyl})amine

Structural Information

Molecular Formula
C12H14F3N
SMILES
C1CC1CNCC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C12H14F3N/c13-12(14,15)11-4-2-1-3-10(11)8-16-7-9-5-6-9/h1-4,9,16H,5-8H2
InChIKey
DAOFJNPDYFYOHF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.10783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11511 140.4
[M+Na]+ 252.09705 148.9
[M-H]- 228.10055 143.9
[M+NH4]+ 247.14165 153.5
[M+K]+ 268.07099 144.6
[M+H-H2O]+ 212.10509 131.1
[M+HCOO]- 274.10603 161.0
[M+CH3COO]- 288.12168 195.6
[M+Na-2H]- 250.08250 146.5
[M]+ 229.10728 138.3
[M]- 229.10838 138.3
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

patents stripe