CID 5269

1,2-dihydro-3h-naphtho[2,1-b]pyran-3-one

Structural Information

Molecular Formula
C13H10O2
SMILES
C1CC(=O)OC2=C1C3=CC=CC=C3C=C2
InChI
InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
InChIKey
ISFPDBUKMJDAJH-UHFFFAOYSA-N
Compound name
1,2-dihydrobenzo[f]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

857
Patents

198.06808 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07536 137.6
[M+Na]+ 221.05730 146.3
[M-H]- 197.06080 143.7
[M+NH4]+ 216.10190 157.7
[M+K]+ 237.03124 143.8
[M+H-H2O]+ 181.06534 131.2
[M+HCOO]- 243.06628 157.4
[M+CH3COO]- 257.08193 151.3
[M+Na-2H]- 219.04275 147.5
[M]+ 198.06753 137.1
[M]- 198.06863 137.1
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