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

205
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.