CID 72866

3-chlorobenzanthrone

Structural Information

Molecular Formula
C17H9ClO
SMILES
C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O
InChI
InChI=1S/C17H9ClO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
InChIKey
QLCFFBOGHZDLGO-UHFFFAOYSA-N
Compound name
3-chlorobenzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

264.03418 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04146 155.2
[M+Na]+ 287.02340 166.9
[M-H]- 263.02690 161.2
[M+NH4]+ 282.06800 176.4
[M+K]+ 302.99734 159.6
[M+H-H2O]+ 247.03144 148.6
[M+HCOO]- 309.03238 170.8
[M+CH3COO]- 323.04803 168.4
[M+Na-2H]- 285.00885 164.3
[M]+ 264.03363 158.9
[M]- 264.03473 158.9
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