CID 3159729

3-(4-fluorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12FN
SMILES
C1CNCC1C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2
InChIKey
IWOQWISAVOSATC-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

165.09538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10266 133.7
[M+Na]+ 188.08460 140.5
[M-H]- 164.08810 136.1
[M+NH4]+ 183.12920 153.8
[M+K]+ 204.05854 136.8
[M+H-H2O]+ 148.09264 126.1
[M+HCOO]- 210.09358 153.5
[M+CH3COO]- 224.10923 146.2
[M+Na-2H]- 186.07005 137.6
[M]+ 165.09483 127.2
[M]- 165.09593 127.2
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