CID 4072203

10-(2-chlorobenzylidene)-9-anthrone

Structural Information

Molecular Formula
C21H13ClO
SMILES
C1=CC=C(C(=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)Cl
InChI
InChI=1S/C21H13ClO/c22-20-12-6-1-7-14(20)13-19-15-8-2-4-10-17(15)21(23)18-11-5-3-9-16(18)19/h1-13H
InChIKey
LRHANTLWNDZCOO-UHFFFAOYSA-N
Compound name
10-[(2-chlorophenyl)methylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0655 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07278 172.4
[M+Na]+ 339.05472 182.8
[M-H]- 315.05822 180.6
[M+NH4]+ 334.09932 189.7
[M+K]+ 355.02866 174.0
[M+H-H2O]+ 299.06276 164.3
[M+HCOO]- 361.06370 188.3
[M+CH3COO]- 375.07935 184.1
[M+Na-2H]- 337.04017 178.1
[M]+ 316.06495 173.5
[M]- 316.06605 173.5
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

No patent data available for this compound.