CID 21916586

1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C10H11FN2O3
SMILES
C1CN(CC1O)C2=C(C=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C10H11FN2O3/c11-9-5-7(13(15)16)1-2-10(9)12-4-3-8(14)6-12/h1-2,5,8,14H,3-4,6H2
InChIKey
QENGWXHQBHRUCG-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

226.07536 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08264 145.4
[M+Na]+ 249.06458 152.3
[M-H]- 225.06808 148.5
[M+NH4]+ 244.10918 162.4
[M+K]+ 265.03852 145.3
[M+H-H2O]+ 209.07262 142.3
[M+HCOO]- 271.07356 166.4
[M+CH3COO]- 285.08921 180.0
[M+Na-2H]- 247.05003 149.6
[M]+ 226.07481 139.8
[M]- 226.07591 139.8
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

patents stripe