CID 84705051

3-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine

Structural Information

Molecular Formula
C12H14F3NO
SMILES
COC1=CC(=C(C=C1)C2CCNC2)C(F)(F)F
InChI
InChI=1S/C12H14F3NO/c1-17-9-2-3-10(8-4-5-16-7-8)11(6-9)12(13,14)15/h2-3,6,8,16H,4-5,7H2,1H3
InChIKey
RWFNKGYFGHDPPY-UHFFFAOYSA-N
Compound name
3-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10275 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.110026 151.9
[M+Na]+ 268.091968 159.3
[M-H]- 244.095474 151.9
[M+NH4]+ 263.136573 169.1
[M+K]+ 284.065908 155.1
[M+H-H2O]+ 228.100010 142.8
[M+HCOO]- 290.100951 167.5
[M+CH3COO]- 304.116601 188.8
[M+Na-2H]- 266.077416 153.6
[M]+ 245.10220142 145.1
[M]- 245.10329858 145.1
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.