CID 27658

16048-40-1

Structural Information

Molecular Formula
C14H7N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+]#N
InChI
InChI=1S/C14H7N2O2/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17/h1-7H/q+1
InChIKey
AYWYBCRYWKVVBR-UHFFFAOYSA-N
Compound name
9,10-dioxoanthracene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

265
Patents

235.05075 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05803 156.9
[M+Na]+ 258.03997 169.7
[M-H]- 234.04347 163.2
[M+NH4]+ 253.08457 174.8
[M+K]+ 274.01391 157.7
[M+H-H2O]+ 218.04801 146.2
[M+HCOO]- 280.04895 176.9
[M+CH3COO]- 294.06460 201.9
[M+Na-2H]- 256.02542 166.1
[M]+ 235.05020 152.1
[M]- 235.05130 152.1
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