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

14
Patents

197.10161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10889 140.7
[M+Na]+ 220.09083 148.1
[M-H]- 196.09433 141.9
[M+NH4]+ 215.13543 159.8
[M+K]+ 236.06477 143.6
[M+H-H2O]+ 180.09887 132.2
[M+HCOO]- 242.09981 159.1
[M+CH3COO]- 256.11546 181.3
[M+Na-2H]- 218.07628 142.8
[M]+ 197.10106 133.9
[M]- 197.10216 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