CID 12543773

2h,3h-naphtho[1,2-b]furan-2-one

Structural Information

Molecular Formula
C12H8O2
SMILES
C1C2=C(C3=CC=CC=C3C=C2)OC1=O
InChI
InChI=1S/C12H8O2/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-11/h1-6H,7H2
InChIKey
YXVNSYLJLOZDBQ-UHFFFAOYSA-N
Compound name
3H-benzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

184.05243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05971 133.9
[M+Na]+ 207.04165 144.1
[M-H]- 183.04515 140.6
[M+NH4]+ 202.08625 156.7
[M+K]+ 223.01559 141.7
[M+H-H2O]+ 167.04969 128.8
[M+HCOO]- 229.05063 156.4
[M+CH3COO]- 243.06628 148.9
[M+Na-2H]- 205.02710 142.6
[M]+ 184.05188 135.4
[M]- 184.05298 135.4
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