CID 64436550

2792201-52-4

Structural Information

Molecular Formula
C11H13F2N
SMILES
C1CNCC1CC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H13F2N/c12-10-2-1-8(6-11(10)13)5-9-3-4-14-7-9/h1-2,6,9,14H,3-5,7H2
InChIKey
SIHLEGCLLWTHJC-UHFFFAOYSA-N
Compound name
3-[(3,4-difluorophenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

197.10161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.108886 140.7
[M+Na]+ 220.090828 148.1
[M-H]- 196.094334 141.9
[M+NH4]+ 215.135433 159.8
[M+K]+ 236.064768 143.6
[M+H-H2O]+ 180.098870 132.2
[M+HCOO]- 242.099811 159.1
[M+CH3COO]- 256.115461 181.3
[M+Na-2H]- 218.076276 142.8
[M]+ 197.10106142 133.9
[M]- 197.10215858 133.9
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