CID 39740

1-chloroanthracene

Structural Information

Molecular Formula
C14H9Cl
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC=C3Cl
InChI
InChI=1S/C14H9Cl/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H
InChIKey
SRIHSAFSOOUEGL-UHFFFAOYSA-N
Compound name
1-chloroanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

579
Patents

212.03928 Da
Monoisotopic Mass

5.5
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