CID 16077388

2-(4-fluorophenyl)-5-nitro-1-propyl-benzimidazole

Structural Information

Molecular Formula
C16H14FN3O2
SMILES
CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O2/c1-2-9-19-15-8-7-13(20(21)22)10-14(15)18-16(19)11-3-5-12(17)6-4-11/h3-8,10H,2,9H2,1H3
InChIKey
ISWBQXNBTVVCFK-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-nitro-1-propylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11428 166.6
[M+Na]+ 322.09622 176.2
[M-H]- 298.09972 171.4
[M+NH4]+ 317.14082 181.3
[M+K]+ 338.07016 166.7
[M+H-H2O]+ 282.10426 161.2
[M+HCOO]- 344.10520 189.4
[M+CH3COO]- 358.12085 199.4
[M+Na-2H]- 320.08167 173.0
[M]+ 299.10645 167.4
[M]- 299.10755 167.4
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

No patent data available for this compound.