CID 82703

10-chloro-9-anthraldehyde

Structural Information

Molecular Formula
C15H9ClO
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)C=O
InChI
InChI=1S/C15H9ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-9H
InChIKey
SHYBXXMECBHHFH-UHFFFAOYSA-N
Compound name
10-chloroanthracene-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

184
Patents

240.0342 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04148 147.8
[M+Na]+ 263.02342 160.4
[M-H]- 239.02692 154.0
[M+NH4]+ 258.06802 168.9
[M+K]+ 278.99736 153.6
[M+H-H2O]+ 223.03146 142.0
[M+HCOO]- 285.03240 167.3
[M+CH3COO]- 299.04805 162.1
[M+Na-2H]- 261.00887 157.5
[M]+ 240.03365 152.8
[M]- 240.03475 152.8
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.