CID 342157

4,5-diazafluoren-9-one

Structural Information

Molecular Formula
C11H6N2O
SMILES
C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1
InChI
InChI=1S/C11H6N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6H
InChIKey
PFMTUGNLBQSHQC-UHFFFAOYSA-N
Compound name
3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

375
Patents

182.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05530 135.1
[M+Na]+ 205.03724 146.7
[M-H]- 181.04074 138.7
[M+NH4]+ 200.08184 156.5
[M+K]+ 221.01118 142.4
[M+H-H2O]+ 165.04528 127.9
[M+HCOO]- 227.04622 157.3
[M+CH3COO]- 241.06187 149.4
[M+Na-2H]- 203.02269 144.2
[M]+ 182.04747 136.6
[M]- 182.04857 136.6
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