CID 5082416

63035-49-4

Structural Information

Molecular Formula
C27H26P
SMILES
CC1=CC=C(C=C1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H26P/c1-23-17-19-24(20-18-23)21-22-28(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20H,21-22H2,1H3/q+1
InChIKey
GONQPQQQUSDBAS-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

381.17722 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18450 204.5
[M+Na]+ 404.16644 207.8
[M-H]- 380.16994 214.4
[M+NH4]+ 399.21104 214.6
[M+K]+ 420.14038 194.9
[M+H-H2O]+ 364.17448 193.3
[M+HCOO]- 426.17542 228.8
[M+CH3COO]- 440.19107 215.0
[M+Na-2H]- 402.15189 206.9
[M]+ 381.17667 201.3
[M]- 381.17777 201.3
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

patents stripe