CID 165850395

{1-[2-(trifluoromethoxy)phenyl]cyclopropyl}methanamine

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1CC1(CN)C2=CC=CC=C2OC(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-9-4-2-1-3-8(9)10(7-15)5-6-10/h1-4H,5-7,15H2
InChIKey
JAUZPDCKPDPTAE-UHFFFAOYSA-N
Compound name
[1-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0871 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.094376 140.9
[M+Na]+ 254.076318 150.6
[M-H]- 230.079824 144.5
[M+NH4]+ 249.120923 155.6
[M+K]+ 270.050258 147.4
[M+H-H2O]+ 214.084360 132.9
[M+HCOO]- 276.085301 161.0
[M+CH3COO]- 290.100951 193.5
[M+Na-2H]- 252.061766 147.5
[M]+ 231.08655142 139.4
[M]- 231.08764858 139.4
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.