CID 3056480

73790-44-0

Structural Information

Molecular Formula
C21H38P
SMILES
CCCC[P+](CCCC)(CCCC)CC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C21H38P/c1-6-9-14-22(15-10-7-2,16-11-8-3)18-21-13-12-19(4)17-20(21)5/h12-13,17H,6-11,14-16,18H2,1-5H3/q+1
InChIKey
RFYPVJDJMSZHLY-UHFFFAOYSA-N
Compound name
tributyl-[(2,4-dimethylphenyl)methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.27112 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27840 192.8
[M+Na]+ 344.26034 197.1
[M-H]- 320.26384 194.3
[M+NH4]+ 339.30494 208.4
[M+K]+ 360.23428 187.1
[M+H-H2O]+ 304.26838 186.4
[M+HCOO]- 366.26932 216.5
[M+CH3COO]- 380.28497 210.9
[M+Na-2H]- 342.24579 192.3
[M]+ 321.27057 197.7
[M]- 321.27167 197.7
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.