CID 440202

1,3,6,8-tetrahydroxynaphthalene

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=C2C=C(C=C(C2=C(C=C1O)O)O)O
InChI
InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H
InChIKey
BCMKHWMDTMUUSI-UHFFFAOYSA-N
Compound name
naphthalene-1,3,6,8-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

1346
Patents

192.04225 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 136.0
[M+Na]+ 215.03147 146.2
[M-H]- 191.03497 136.6
[M+NH4]+ 210.07607 154.6
[M+K]+ 231.00541 142.2
[M+H-H2O]+ 175.03951 131.5
[M+HCOO]- 237.04045 154.9
[M+CH3COO]- 251.05610 175.1
[M+Na-2H]- 213.01692 142.4
[M]+ 192.04170 135.2
[M]- 192.04280 135.2
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