CID 16313

2,4-dichloro-1-naphthol

Structural Information

Molecular Formula
C10H6Cl2O
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)Cl)Cl
InChI
InChI=1S/C10H6Cl2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKey
HVLJEMXDXOTWLV-UHFFFAOYSA-N
Compound name
2,4-dichloronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

341
Patents

211.97957 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.98685 137.1
[M+Na]+ 234.96879 149.1
[M-H]- 210.97229 140.4
[M+NH4]+ 230.01339 158.2
[M+K]+ 250.94273 142.7
[M+H-H2O]+ 194.97683 133.8
[M+HCOO]- 256.97777 150.3
[M+CH3COO]- 270.99342 151.0
[M+Na-2H]- 232.95424 144.3
[M]+ 211.97902 140.2
[M]- 211.98012 140.2
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