CID 75583

Mompain

Structural Information

Molecular Formula
C10H6O6
SMILES
C1=C(C2=C(C(=C1O)O)C(=O)C(=O)C=C2O)O
InChI
InChI=1S/C10H6O6/c11-3-1-5(13)9(15)8-7(3)4(12)2-6(14)10(8)16/h1-2,11-13,15H
InChIKey
PEEIVTDTCNXCLB-UHFFFAOYSA-N
Compound name
4,5,7,8-tetrahydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

15
Patents

222.01643 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02371 139.7
[M+Na]+ 245.00565 150.8
[M-H]- 221.00915 140.6
[M+NH4]+ 240.05025 157.2
[M+K]+ 260.97959 147.3
[M+H-H2O]+ 205.01369 135.2
[M+HCOO]- 267.01463 157.7
[M+CH3COO]- 281.03028 181.4
[M+Na-2H]- 242.99110 144.0
[M]+ 222.01588 139.8
[M]- 222.01698 139.8
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