CID 167528

Anthracene-9-carbonyl chloride

Structural Information

Molecular Formula
C15H9ClO
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)Cl
InChI
InChI=1S/C15H9ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKey
REJFOBQJXSGDSB-UHFFFAOYSA-N
Compound name
anthracene-9-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

227
Patents

240.0342 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04148 147.8
[M+Na]+ 263.02342 159.1
[M-H]- 239.02692 153.7
[M+NH4]+ 258.06802 168.5
[M+K]+ 278.99736 152.7
[M+H-H2O]+ 223.03146 142.0
[M+HCOO]- 285.03240 166.3
[M+CH3COO]- 299.04805 161.6
[M+Na-2H]- 261.00887 157.0
[M]+ 240.03365 151.8
[M]- 240.03475 151.8
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