CID 509084

2-(3-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1h-imidazole-4-diazonium

Structural Information

Molecular Formula
C14H13FN5O
SMILES
C1CCN(C1)C(=O)C2=C(N=C(N2)C3=CC(=CC=C3)F)[N+]#N
InChI
InChI=1S/C14H12FN5O/c15-10-5-3-4-9(8-10)12-17-11(13(18-12)19-16)14(21)20-6-1-2-7-20/h3-5,8H,1-2,6-7H2/p+1
InChIKey
BLDSDKNTAZOSQW-UHFFFAOYSA-O
Compound name
2-(3-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11768 164.0
[M+Na]+ 309.09962 172.5
[M-H]- 285.10312 166.7
[M+NH4]+ 304.14422 175.8
[M+K]+ 325.07356 161.8
[M+H-H2O]+ 269.10766 148.3
[M+HCOO]- 331.10860 179.4
[M+CH3COO]- 345.12425 204.3
[M+Na-2H]- 307.08507 165.6
[M]+ 286.10985 153.7
[M]- 286.11095 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.