CID 3057162

Dibutyl-2-butoxynaphthyl phosphate

Structural Information

Molecular Formula
C22H33O5P
SMILES
CCCCOC1=C(C2=CC=CC=C2C=C1)OP(=O)(OCCCC)OCCCC
InChI
InChI=1S/C22H33O5P/c1-4-7-16-24-21-15-14-19-12-10-11-13-20(19)22(21)27-28(23,25-17-8-5-2)26-18-9-6-3/h10-15H,4-9,16-18H2,1-3H3
InChIKey
PIHWTEAIJMIGNW-UHFFFAOYSA-N
Compound name
(2-butoxynaphthalen-1-yl) dibutyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.20657 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21385 205.1
[M+Na]+ 431.19579 209.3
[M-H]- 407.19929 206.8
[M+NH4]+ 426.24039 217.3
[M+K]+ 447.16973 206.5
[M+H-H2O]+ 391.20383 194.0
[M+HCOO]- 453.20477 229.4
[M+CH3COO]- 467.22042 226.8
[M+Na-2H]- 429.18124 205.2
[M]+ 408.20602 216.0
[M]- 408.20712 216.0
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.