CID 2724568

Heptyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C25H30P
SMILES
CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H30P/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h6-14,16-21H,2-5,15,22H2,1H3/q+1
InChIKey
AQTRUJNPSCVCHR-UHFFFAOYSA-N
Compound name
heptyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

803
Patents

361.20853 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21581 200.8
[M+Na]+ 384.19775 203.2
[M-H]- 360.20125 207.5
[M+NH4]+ 379.24235 212.4
[M+K]+ 400.17169 191.0
[M+H-H2O]+ 344.20579 190.9
[M+HCOO]- 406.20673 225.2
[M+CH3COO]- 420.22238 212.0
[M+Na-2H]- 382.18320 203.1
[M]+ 361.20798 199.8
[M]- 361.20908 199.8
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