CID 361628

Nsc624844

Structural Information

Molecular Formula
C37H30Br2P2
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C([P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(Br)Br
InChI
InChI=1S/C37H30Br2P2/c38-37(39,40(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)41(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H/q+2
InChIKey
WVDRQYUQNDESEE-UHFFFAOYSA-N
Compound name
[dibromo(triphenylphosphaniumyl)methyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.0189 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.02618 287.0
[M+Na]+ 717.00812 287.1
[M-H]- 693.01162 299.0
[M+NH4]+ 712.05272 289.9
[M+K]+ 732.98206 266.5
[M+H-H2O]+ 677.01616 290.1
[M+HCOO]- 739.01710 299.6
[M+CH3COO]- 753.03275 247.7
[M+Na-2H]- 714.99357 285.1
[M]+ 694.01835 311.6
[M]- 694.01945 311.6
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.