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]+ 232.094376 147.3
[M+Na]+ 254.076318 154.2
[M-H]- 230.079824 147.1
[M+NH4]+ 249.120923 164.8
[M+K]+ 270.050258 150.3
[M+H-H2O]+ 214.084360 138.1
[M+HCOO]- 276.085301 163.2
[M+CH3COO]- 290.100951 184.7
[M+Na-2H]- 252.061766 150.2
[M]+ 231.08655142 139.8
[M]- 231.08764858 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