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]+ 214.103806 143.8
[M+Na]+ 236.085748 152.0
[M-H]- 212.089254 145.4
[M+NH4]+ 231.130353 162.5
[M+K]+ 252.059688 148.1
[M+H-H2O]+ 196.093790 135.4
[M+HCOO]- 258.094731 162.4
[M+CH3COO]- 272.110381 184.5
[M+Na-2H]- 234.071196 145.2
[M]+ 213.09598142 138.8
[M]- 213.09707858 138.8
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

No patent data available for this compound.