CID 28308

2-chloroanthracene

Structural Information

Molecular Formula
C14H9Cl
SMILES
C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl
InChI
InChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKey
OWFINXQLBMJDJQ-UHFFFAOYSA-N
Compound name
2-chloroanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

416
Patents

212.03928 Da
Monoisotopic Mass

5.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.