PubChemLite - Nsc690983 (C33H29O7P)

Structural Information

Molecular Formula

SMILES

COC1=C(C(=C(C1=P2(CC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C33H29O7P/c1-37-28-26(32(35)39-3)25(31(34)38-2)27(33(36)40-4)30(28)41(23-18-12-7-13-19-23)20-24(21-14-8-5-9-15-21)29(41)22-16-10-6-11-17-22/h5-19H,20H2,1-4H3

InChIKey

SZXBFKJYYYMBQY-UHFFFAOYSA-N

Compound name

trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1lambda5-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate

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]+	569.17238	236.1
[M+Na]+	591.15432	238.9
[M-H]-	567.15782	250.0
[M+NH4]+	586.19892	236.4
[M+K]+	607.12826	239.8
[M+H-H2O]+	551.16236	217.3
[M+HCOO]-	613.16330	259.2
[M+CH3COO]-	627.17895	253.8
[M+Na-2H]-	589.13977	226.6
[M]+	568.16455	250.6
[M]-	568.16565	250.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.17238

236.1

[M+Na]+

591.15432

238.9

[M-H]-

567.15782

250.0

[M+NH4]+

586.19892

236.4

[M+K]+

607.12826

239.8

[M+H-H2O]+

551.16236

217.3

[M+HCOO]-

613.16330

259.2

[M+CH3COO]-

627.17895

253.8

[M+Na-2H]-

589.13977

226.6

[M]+

568.16455

250.6

[M]-

568.16565

250.6

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

Nsc690983

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe