CID 5999037

Cinnamyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C27H24P
SMILES
C1=CC=C(C=C1)/C=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H24P/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27/h1-22H,23H2/q+1/b16-13+
InChIKey
CWZRWDUCONVNAX-DTQAZKPQSA-N
Compound name
triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2027
Patents

379.16156 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16884 203.8
[M+Na]+ 402.15078 206.5
[M-H]- 378.15428 213.3
[M+NH4]+ 397.19538 213.6
[M+K]+ 418.12472 193.0
[M+H-H2O]+ 362.15882 192.6
[M+HCOO]- 424.15976 228.3
[M+CH3COO]- 438.17541 212.5
[M+Na-2H]- 400.13623 206.9
[M]+ 379.16101 199.4
[M]- 379.16211 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe