CID 77131559

2411220-58-9

Structural Information

Molecular Formula
C11H13F2NO
SMILES
COC1=C(C(=CC(=C1)C2CCCN2)F)F
InChI
InChI=1S/C11H13F2NO/c1-15-10-6-7(5-8(12)11(10)13)9-3-2-4-14-9/h5-6,9,14H,2-4H2,1H3
InChIKey
FYBGFOAHUSCCLN-UHFFFAOYSA-N
Compound name
2-(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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10381 143.8
[M+Na]+ 236.08575 152.0
[M-H]- 212.08925 145.4
[M+NH4]+ 231.13035 162.5
[M+K]+ 252.05969 148.1
[M+H-H2O]+ 196.09379 135.4
[M+HCOO]- 258.09473 162.4
[M+CH3COO]- 272.11038 184.5
[M+Na-2H]- 234.07120 145.2
[M]+ 213.09598 138.8
[M]- 213.09708 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.