CID 62918073

Cyclopropyl[3-(trifluoromethoxy)phenyl]methanamine

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1CC1C(C2=CC(=CC=C2)OC(F)(F)F)N
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-9-3-1-2-8(6-9)10(15)7-4-5-7/h1-3,6-7,10H,4-5,15H2
InChIKey
SKFFZVPWHBHILQ-UHFFFAOYSA-N
Compound name
cyclopropyl-[3-(trifluoromethoxy)phenyl]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 139.2
[M+Na]+ 254.07632 147.8
[M-H]- 230.07982 142.4
[M+NH4]+ 249.12092 151.8
[M+K]+ 270.05026 144.1
[M+H-H2O]+ 214.08436 130.2
[M+HCOO]- 276.08530 158.7
[M+CH3COO]- 290.10095 194.7
[M+Na-2H]- 252.06177 143.7
[M]+ 231.08655 136.6
[M]- 231.08765 136.6
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.