CID 10221

Phthiocol

Structural Information

Molecular Formula
C11H8O3
SMILES
CC1=C(C2=CC=CC=C2C(=O)C1=O)O
InChI
InChI=1S/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,12H,1H3
InChIKey
BGVCGTNXEKDVCB-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methylnaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

3167
Patents

188.04735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 136.2
[M+Na]+ 211.03657 150.5
[M+NH4]+ 206.08117 144.8
[M+K]+ 227.01051 144.1
[M-H]- 187.04007 138.3
[M+Na-2H]- 209.02202 142.2
[M]+ 188.04680 138.8
[M]- 188.04790 138.8
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