CID 165850395

En300-1933449

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]+ 232.09438 140.9
[M+Na]+ 254.07632 150.6
[M-H]- 230.07982 144.5
[M+NH4]+ 249.12092 155.6
[M+K]+ 270.05026 147.4
[M+H-H2O]+ 214.08436 132.9
[M+HCOO]- 276.08530 161.0
[M+CH3COO]- 290.10095 193.5
[M+Na-2H]- 252.06177 147.5
[M]+ 231.08655 139.4
[M]- 231.08765 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.