CID 154730922

Mitobady

Structural Information

Molecular Formula
C35H26P
SMILES
C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C35H26P/c1-5-15-30(16-6-1)17-13-14-18-31-25-27-32(28-26-31)29-36(33-19-7-2-8-20-33,34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-12,15-16,19-28H,29H2/q+1
InChIKey
XVXPCHUMLCSHDX-UHFFFAOYSA-N
Compound name
triphenyl-[[4-(4-phenylbuta-1,3-diynyl)phenyl]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.17722 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.18450 231.7
[M+Na]+ 500.16644 240.4
[M-H]- 476.16994 235.2
[M+NH4]+ 495.21104 234.4
[M+K]+ 516.14038 220.3
[M+H-H2O]+ 460.17448 213.0
[M+HCOO]- 522.17542 239.7
[M+CH3COO]- 536.19107 238.7
[M+Na-2H]- 498.15189 227.2
[M]+ 477.17667 218.7
[M]- 477.17777 218.7
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.