CID 68463

1,6-dihydroxynaphthalene

Structural Information

Molecular Formula
C10H8O2
SMILES
C1=CC2=C(C=CC(=C2)O)C(=C1)O
InChI
InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H
InChIKey
FZZQNEVOYIYFPF-UHFFFAOYSA-N
Compound name
naphthalene-1,6-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

19269
Patents

160.05243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 129.0
[M+Na]+ 183.04165 138.5
[M-H]- 159.04515 131.7
[M+NH4]+ 178.08625 150.0
[M+K]+ 199.01559 134.9
[M+H-H2O]+ 143.04969 124.1
[M+HCOO]- 205.05063 150.7
[M+CH3COO]- 219.06628 172.9
[M+Na-2H]- 181.02710 137.8
[M]+ 160.05188 128.1
[M]- 160.05298 128.1
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