CID 6338336

[5,5-bis(oxoniumylidynemethyl)-1,4,4,6,6-pentakis-phenyl-1-phosphonia-4,6-diarsonia-5$l^{6}-chromabicyclo[3.3.0]octan-5-yl]methylidyneoxonium

Structural Information

Molecular Formula
C34H33As2P
SMILES
C1=CC=C(C=C1)P(CC[As+](C2=CC=CC=C2)C3=CC=CC=C3)CC[As+](C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H33As2P/c1-6-16-30(17-7-1)35(31-18-8-2-9-19-31)26-28-37(34-24-14-5-15-25-34)29-27-36(32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-25H,26-29H2/q+2
InChIKey
XANCZRVGHPMNAC-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.0752 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.08248 265.2
[M+Na]+ 645.06442 260.9
[M-H]- 621.06792 274.3
[M+NH4]+ 640.10902 266.6
[M+K]+ 661.03836 241.7
[M+H-H2O]+ 605.07246 252.0
[M+HCOO]- 667.07340 282.7
[M+CH3COO]- 681.08905 235.2
[M+Na-2H]- 643.04987 260.0
[M]+ 622.07465 258.2
[M]- 622.07575 258.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.