CID 22482603

Naphthalene-1,2,4,8-tetrol

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC2=C(C(=C1)O)C(=C(C=C2O)O)O
InChI
InChI=1S/C10H8O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11-14H
InChIKey
JNLWKNHLUVQHPV-UHFFFAOYSA-N
Compound name
naphthalene-1,2,4,8-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

192.04225 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 136.0
[M+Na]+ 215.031468 146.2
[M-H]- 191.034974 136.6
[M+NH4]+ 210.076073 154.6
[M+K]+ 231.005408 142.2
[M+H-H2O]+ 175.039510 131.5
[M+HCOO]- 237.040451 154.9
[M+CH3COO]- 251.056101 175.1
[M+Na-2H]- 213.016916 142.4
[M]+ 192.04170142 135.2
[M]- 192.04279858 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