CID 19402

Chlorophacinone

Structural Information

Molecular Formula
C23H15ClO3
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
InChIKey
UDHXJZHVNHGCEC-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

72
References

16646
Patents

374.07098 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07826 188.2
[M+Na]+ 397.06020 196.7
[M-H]- 373.06370 199.0
[M+NH4]+ 392.10480 203.2
[M+K]+ 413.03414 189.5
[M+H-H2O]+ 357.06824 180.3
[M+HCOO]- 419.06918 204.3
[M+CH3COO]- 433.08483 199.1
[M+Na-2H]- 395.04565 187.2
[M]+ 374.07043 190.7
[M]- 374.07153 190.7
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