CID 129953855

3-[3-(trifluoromethoxy)phenyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H12F3NO
SMILES
C1CNCC1C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)16-10-3-1-2-8(6-10)9-4-5-15-7-9/h1-3,6,9,15H,4-5,7H2
InChIKey
HVWNWEKZBJRTEE-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethoxy)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.0871 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 147.3
[M+Na]+ 254.07632 154.2
[M-H]- 230.07982 147.1
[M+NH4]+ 249.12092 164.8
[M+K]+ 270.05026 150.3
[M+H-H2O]+ 214.08436 138.1
[M+HCOO]- 276.08530 163.2
[M+CH3COO]- 290.10095 184.7
[M+Na-2H]- 252.06177 150.2
[M]+ 231.08655 139.8
[M]- 231.08765 139.8
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

patents stripe