CID 84782643

3-(3,4-difluoro-5-methoxyphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H13F2NO
SMILES
COC1=C(C(=CC(=C1)C2CCNC2)F)F
InChI
InChI=1S/C11H13F2NO/c1-15-10-5-8(4-9(12)11(10)13)7-2-3-14-6-7/h4-5,7,14H,2-3,6H2,1H3
InChIKey
YTPQHHDEAKDEBB-UHFFFAOYSA-N
Compound name
3-(3,4-difluoro-5-methoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09653 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10381 149.4
[M+Na]+ 236.08575 159.6
[M+NH4]+ 231.13035 156.4
[M+K]+ 252.05969 154.9
[M-H]- 212.08925 149.2
[M+Na-2H]- 234.07120 153.9
[M]+ 213.09598 150.5
[M]- 213.09708 150.5
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.