CID 25128189

3-(3,5-difluorophenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H11F2N
SMILES
C1CNCC1C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C10H11F2N/c11-9-3-8(4-10(12)5-9)7-1-2-13-6-7/h3-5,7,13H,1-2,6H2
InChIKey
NSNPKCDGEORKKV-UHFFFAOYSA-N
Compound name
3-(3,5-difluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

183.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09323 136.1
[M+Na]+ 206.07517 143.9
[M-H]- 182.07867 137.5
[M+NH4]+ 201.11977 155.8
[M+K]+ 222.04911 139.7
[M+H-H2O]+ 166.08321 127.8
[M+HCOO]- 228.08415 154.8
[M+CH3COO]- 242.09980 178.3
[M+Na-2H]- 204.06062 138.7
[M]+ 183.08540 128.9
[M]- 183.08650 128.9
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