CID 16173

6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C13H8O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
InChIKey
TVKNXKLYVUVOCV-UHFFFAOYSA-N
Compound name
benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

1127
Patents

196.05243 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05971 135.0
[M+Na]+ 219.04165 146.9
[M-H]- 195.04515 142.4
[M+NH4]+ 214.08625 155.6
[M+K]+ 235.01559 143.9
[M+H-H2O]+ 179.04969 128.7
[M+HCOO]- 241.05063 159.2
[M+CH3COO]- 255.06628 150.4
[M+Na-2H]- 217.02710 147.9
[M]+ 196.05188 138.9
[M]- 196.05298 138.9
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