CID 11305

1,4-dihydroxynaphthalene

Structural Information

Molecular Formula
C10H8O2
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)O
InChI
InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
InChIKey
PCILLCXFKWDRMK-UHFFFAOYSA-N
Compound name
naphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

38
References

11913
Patents

160.05243 Da
Monoisotopic Mass

1.8
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