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]+ 232.094376 139.2
[M+Na]+ 254.076318 147.8
[M-H]- 230.079824 142.4
[M+NH4]+ 249.120923 151.8
[M+K]+ 270.050258 144.1
[M+H-H2O]+ 214.084360 130.2
[M+HCOO]- 276.085301 158.7
[M+CH3COO]- 290.100951 194.7
[M+Na-2H]- 252.061766 143.7
[M]+ 231.08655142 136.6
[M]- 231.08764858 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.