CID 5832642

3-(9-anthryl)-4'-chloroacrylophenone

Structural Information

Molecular Formula
C23H15ClO
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C/C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H15ClO/c24-19-11-9-16(10-12-19)23(25)14-13-22-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)22/h1-15H/b14-13+
InChIKey
ATVIOVIJBMRIAP-BUHFOSPRSA-N
Compound name
(E)-3-anthracen-9-yl-1-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

342.08115 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08843 180.2
[M+Na]+ 365.07037 190.4
[M-H]- 341.07387 188.4
[M+NH4]+ 360.11497 196.2
[M+K]+ 381.04431 181.3
[M+H-H2O]+ 325.07841 171.6
[M+HCOO]- 387.07935 197.1
[M+CH3COO]- 401.09500 191.5
[M+Na-2H]- 363.05582 186.3
[M]+ 342.08060 183.8
[M]- 342.08170 183.8
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