PubChemLite - 361342-52-1 (C48H29O4P)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=C1C=CC=CC1=CC1=CC=CC=C19)O

InChI

InChI=1S/C48H29O4P/c49-53(50)51-47-41(43-35-19-7-1-13-29(35)25-30-14-2-8-20-36(30)43)27-33-17-5-11-23-39(33)45(47)46-40-24-12-6-18-34(40)28-42(48(46)52-53)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-28H,(H,49,50)

InChIKey

QYJHYRSRVCOHMY-UHFFFAOYSA-N

Compound name

10,16-di(anthracen-9-yl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

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]+	701.18764	281.0
[M+Na]+	723.16958	303.4
[M+NH4]+	718.21418	290.9
[M+K]+	739.14352	286.4
[M-H]-	699.17308	294.7
[M+Na-2H]-	721.15503	287.4
[M]+	700.17981	289.3
[M]-	700.18091	289.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

701.18764

281.0

[M+Na]+

723.16958

303.4

[M+NH4]+

718.21418

290.9

[M+K]+

739.14352

286.4

[M-H]-

699.17308

294.7

[M+Na-2H]-

721.15503

287.4

[M]+

700.17981

289.3

[M]-

700.18091

289.3

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

361342-52-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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