CID 69744

9-chloroanthracene

Structural Information

Molecular Formula
C14H9Cl
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Cl
InChI
InChI=1S/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKey
KULLJOPUZUWTMF-UHFFFAOYSA-N
Compound name
9-chloroanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

503
Patents

212.03928 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04656 140.6
[M+Na]+ 235.02850 152.6
[M-H]- 211.03200 146.6
[M+NH4]+ 230.07310 162.8
[M+K]+ 251.00244 145.9
[M+H-H2O]+ 195.03654 135.0
[M+HCOO]- 257.03748 160.1
[M+CH3COO]- 271.05313 155.2
[M+Na-2H]- 233.01395 151.6
[M]+ 212.03873 144.2
[M]- 212.03983 144.2
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