PubChemLite - Unii-l144b2tidv (C45H30O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7

InChI

InChI=1S/C45H30O3/c46-43(34-10-4-1-5-11-34)37-22-16-31(17-23-37)40-28-41(32-18-24-38(25-19-32)44(47)35-12-6-2-7-13-35)30-42(29-40)33-20-26-39(27-21-33)45(48)36-14-8-3-9-15-36/h1-30H

InChIKey

WOOBPQGYVSIZEF-UHFFFAOYSA-N

Compound name

[4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	619.22678	258.0
[M+Na]+	641.20872	259.0
[M-H]-	617.21222	275.2
[M+NH4]+	636.25332	255.2
[M+K]+	657.18266	250.7
[M+H-H2O]+	601.21676	240.4
[M+HCOO]-	663.21770	272.6
[M+CH3COO]-	677.23335	260.9
[M+Na-2H]-	639.19417	253.1
[M]+	618.21895	253.3
[M]-	618.22005	253.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

619.22678

258.0

[M+Na]+

641.20872

259.0

[M-H]-

617.21222

275.2

[M+NH4]+

636.25332

255.2

[M+K]+

657.18266

250.7

[M+H-H2O]+

601.21676

240.4

[M+HCOO]-

663.21770

272.6

[M+CH3COO]-

677.23335

260.9

[M+Na-2H]-

639.19417

253.1

[M]+

618.21895

253.3

[M]-

618.22005

253.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Unii-l144b2tidv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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