CID 347218

6-amino-3,4-benzocoumarin

Structural Information

Molecular Formula
C13H9NO2
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)N)OC2=O
InChI
InChI=1S/C13H9NO2/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(15)16-12/h1-7H,14H2
InChIKey
DGSQFJGGUZPEHU-UHFFFAOYSA-N
Compound name
2-aminobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

111
Patents

211.06332 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07060 140.4
[M+Na]+ 234.05254 152.4
[M-H]- 210.05604 147.5
[M+NH4]+ 229.09714 160.1
[M+K]+ 250.02648 149.0
[M+H-H2O]+ 194.06058 133.8
[M+HCOO]- 256.06152 164.9
[M+CH3COO]- 270.07717 155.2
[M+Na-2H]- 232.03799 151.9
[M]+ 211.06277 143.1
[M]- 211.06387 143.1
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