CID 43277114

1095127-74-4

Structural Information

Molecular Formula
C12H14F3NO
SMILES
C1CC1NCC2=CC=C(C=C2)OCC(F)(F)F
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)8-17-11-5-1-9(2-6-11)7-16-10-3-4-10/h1-2,5-6,10,16H,3-4,7-8H2
InChIKey
HTJWWDQOWVBEHP-UHFFFAOYSA-N
Compound name
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10275 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 144.3
[M+Na]+ 268.09197 152.8
[M-H]- 244.09547 147.8
[M+NH4]+ 263.13657 156.7
[M+K]+ 284.06591 148.8
[M+H-H2O]+ 228.10001 134.9
[M+HCOO]- 290.10095 165.1
[M+CH3COO]- 304.11660 197.5
[M+Na-2H]- 266.07742 150.4
[M]+ 245.10220 143.6
[M]- 245.10330 143.6
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.