CID 82427

6,7-dichloroanthracene-1,4,9,10-tetrol

Structural Information

Molecular Formula
C14H8Cl2O4
SMILES
C1=CC(=C2C(=C1O)C(=C3C=C(C(=CC3=C2O)Cl)Cl)O)O
InChI
InChI=1S/C14H8Cl2O4/c15-7-3-5-6(4-8(7)16)14(20)12-10(18)2-1-9(17)11(12)13(5)19/h1-4,17-20H
InChIKey
JKHMZJNNKYIWNR-UHFFFAOYSA-N
Compound name
6,7-dichloroanthracene-1,4,9,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

309.97995 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.987226 157.9
[M+Na]+ 332.969168 172.3
[M-H]- 308.972674 159.8
[M+NH4]+ 328.013773 175.0
[M+K]+ 348.943108 164.9
[M+H-H2O]+ 292.977210 155.1
[M+HCOO]- 354.978151 167.2
[M+CH3COO]- 368.993801 170.3
[M+Na-2H]- 330.954616 163.4
[M]+ 309.97940142 163.8
[M]- 309.98049858 163.8
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

patents stripe