CID 11800

9,10-dichloroanthracene

Structural Information

Molecular Formula
C14H8Cl2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)Cl
InChI
InChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey
FKDIWXZNKAZCBY-UHFFFAOYSA-N
Compound name
9,10-dichloroanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1438
Patents

246.0003 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00758 147.4
[M+Na]+ 268.98952 167.8
[M+NH4]+ 264.03412 159.9
[M+K]+ 284.96346 156.1
[M-H]- 244.99302 153.4
[M+Na-2H]- 266.97497 158.2
[M]+ 245.99975 153.2
[M]- 246.00085 153.2
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