CID 97037

9-benzoylanthracene

Structural Information

Molecular Formula
C21H14O
SMILES
C1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C21H14O/c22-21(15-8-2-1-3-9-15)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H
InChIKey
YBIBFEHHOULQKH-UHFFFAOYSA-N
Compound name
anthracen-9-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

668
Patents

282.10446 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11174 164.5
[M+Na]+ 305.09368 173.4
[M-H]- 281.09718 173.0
[M+NH4]+ 300.13828 181.7
[M+K]+ 321.06762 166.8
[M+H-H2O]+ 265.10172 155.6
[M+HCOO]- 327.10266 186.5
[M+CH3COO]- 341.11831 176.7
[M+Na-2H]- 303.07913 173.0
[M]+ 282.10391 165.2
[M]- 282.10501 165.2
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