CID 85844

15448-58-5

Structural Information

Molecular Formula
C10H6O3
SMILES
C1=CC=C2C(=C1)C(=O)C3C(C2=O)O3
InChI
InChI=1S/C10H6O3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-10/h1-4,9-10H
InChIKey
TVVRFUOKLKGUKT-UHFFFAOYSA-N
Compound name
1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

77
Patents

174.0317 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03898 133.4
[M+Na]+ 197.02092 146.0
[M-H]- 173.02442 141.1
[M+NH4]+ 192.06552 150.1
[M+K]+ 212.99486 143.5
[M+H-H2O]+ 157.02896 127.5
[M+HCOO]- 219.02990 154.3
[M+CH3COO]- 233.04555 148.0
[M+Na-2H]- 195.00637 142.8
[M]+ 174.03115 138.0
[M]- 174.03225 138.0
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