CID 90158075

4-(benzyloxy)-3,3-difluoropyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H13F2NO
SMILES
C1C(C(CN1)(F)F)OCC2=CC=CC=C2
InChI
InChI=1S/C11H13F2NO/c12-11(13)8-14-6-10(11)15-7-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2
InChIKey
OWMUBBZNERXZDK-UHFFFAOYSA-N
Compound name
3,3-difluoro-4-phenylmethoxypyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.09653 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10381 143.9
[M+Na]+ 236.08575 151.3
[M-H]- 212.08925 145.1
[M+NH4]+ 231.13035 164.0
[M+K]+ 252.05969 147.5
[M+H-H2O]+ 196.09379 135.5
[M+HCOO]- 258.09473 162.6
[M+CH3COO]- 272.11038 181.7
[M+Na-2H]- 234.07120 147.8
[M]+ 213.09598 138.4
[M]- 213.09708 138.4
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