CID 509088

2-(2,4-difluorophenyl)-5-(pyrrolidine-1-carbonyl)-1h-imidazole-4-diazonium

Structural Information

Molecular Formula
C14H12F2N5O
SMILES
C1CCN(C1)C(=O)C2=C(N=C(N2)C3=C(C=C(C=C3)F)F)[N+]#N
InChI
InChI=1S/C14H11F2N5O/c15-8-3-4-9(10(16)7-8)12-18-11(13(19-12)20-17)14(22)21-5-1-2-6-21/h3-4,7H,1-2,5-6H2/p+1
InChIKey
NRCARZXVTOKLQM-UHFFFAOYSA-O
Compound name
2-(2,4-difluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-imidazole-4-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.10098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10826 164.5
[M+Na]+ 327.09020 173.7
[M-H]- 303.09370 166.3
[M+NH4]+ 322.13480 175.9
[M+K]+ 343.06414 162.8
[M+H-H2O]+ 287.09824 148.4
[M+HCOO]- 349.09918 179.1
[M+CH3COO]- 363.11483 207.8
[M+Na-2H]- 325.07565 165.2
[M]+ 304.10043 153.7
[M]- 304.10153 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.