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]+ 246.11003 151.9
[M+Na]+ 268.09197 159.3
[M-H]- 244.09547 151.9
[M+NH4]+ 263.13657 169.1
[M+K]+ 284.06591 155.1
[M+H-H2O]+ 228.10001 142.8
[M+HCOO]- 290.10095 167.5
[M+CH3COO]- 304.11660 188.8
[M+Na-2H]- 266.07742 153.6
[M]+ 245.10220 145.1
[M]- 245.10330 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.