CID 10667

1,2-naphthoquinone

Structural Information

Molecular Formula
C10H6O2
SMILES
C1=CC=C2C(=C1)C=CC(=O)C2=O
InChI
InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
InChIKey
KETQAJRQOHHATG-UHFFFAOYSA-N
Compound name
naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

207
References

14340
Patents

158.03677 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04405 126.5
[M+Na]+ 181.02599 136.4
[M-H]- 157.02949 131.8
[M+NH4]+ 176.07059 148.8
[M+K]+ 196.99993 133.6
[M+H-H2O]+ 141.03403 121.2
[M+HCOO]- 203.03497 150.2
[M+CH3COO]- 217.05062 176.7
[M+Na-2H]- 179.01144 135.4
[M]+ 158.03622 126.5
[M]- 158.03732 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.