CID 6796

Benzo[f]quinoline

Structural Information

Molecular Formula
C13H9N
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC=N3
InChI
InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
InChIKey
HCAUQPZEWLULFJ-UHFFFAOYSA-N
Compound name
benzo[f]quinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

40
References

7964
Patents

179.0735 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.080776 134.0
[M+Na]+ 202.062718 144.7
[M-H]- 178.066224 138.6
[M+NH4]+ 197.107323 154.9
[M+K]+ 218.036658 139.7
[M+H-H2O]+ 162.070760 126.8
[M+HCOO]- 224.071701 157.1
[M+CH3COO]- 238.087351 148.3
[M+Na-2H]- 200.048166 147.0
[M]+ 179.07295142 135.1
[M]- 179.07404858 135.1
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

patents stripe