CID 3497125

1,4-dichloroanthracene

Structural Information

Molecular Formula
C14H8Cl2
SMILES
C1=CC=C2C=C3C(=CC=C(C3=CC2=C1)Cl)Cl
InChI
InChI=1S/C14H8Cl2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H
InChIKey
QGFHQIHSEPNVKV-UHFFFAOYSA-N
Compound name
1,4-dichloroanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

246.0003 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00758 147.1
[M+Na]+ 268.98952 160.3
[M-H]- 244.99302 152.5
[M+NH4]+ 264.03412 168.5
[M+K]+ 284.96346 152.5
[M+H-H2O]+ 228.99756 142.2
[M+HCOO]- 290.99850 161.4
[M+CH3COO]- 305.01415 161.1
[M+Na-2H]- 266.97497 156.4
[M]+ 245.99975 152.3
[M]- 246.00085 152.3
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