CID 20654495

Triphenyl({[(1r,4r)-4-ethenylcyclohexyl]methyl})phosphanium iodide

Structural Information

Molecular Formula
C27H30P
SMILES
C=CC1CCC(CC1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H30P/c1-2-23-18-20-24(21-19-23)22-28(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h2-17,23-24H,1,18-22H2/q+1
InChIKey
HLHMSIHQKMDRHU-UHFFFAOYSA-N
Compound name
(4-ethenylcyclohexyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.20853 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21581 204.3
[M+Na]+ 408.19775 204.9
[M-H]- 384.20125 213.2
[M+NH4]+ 403.24235 214.0
[M+K]+ 424.17169 192.0
[M+H-H2O]+ 368.20579 193.2
[M+HCOO]- 430.20673 224.9
[M+CH3COO]- 444.22238 215.0
[M+Na-2H]- 406.18320 204.1
[M]+ 385.20798 196.4
[M]- 385.20908 196.4
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