CID 154114176

Ns00133535

Structural Information

Molecular Formula
C10H7ClO2
SMILES
C1=CC2=C(C=CC(=C2C(=C1)O)O)Cl
InChI
InChI=1S/C10H7ClO2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12-13H
InChIKey
WPRKDOUXGJRIDX-UHFFFAOYSA-N
Compound name
4-chloronaphthalene-1,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01346 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.020736 134.6
[M+Na]+ 217.002678 145.8
[M-H]- 193.006184 137.4
[M+NH4]+ 212.047283 155.4
[M+K]+ 232.976618 140.4
[M+H-H2O]+ 177.010720 130.8
[M+HCOO]- 239.011661 151.7
[M+CH3COO]- 253.027311 178.0
[M+Na-2H]- 214.988126 142.2
[M]+ 194.01291142 136.2
[M]- 194.01400858 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.