CID 23461823

Tri(butoxyethyl)phosphate

Structural Information

Molecular Formula
C18H39O7P
SMILES
CCCCOC(C)OP(=O)(OC(C)OCCCC)OC(C)OCCCC
InChI
InChI=1S/C18H39O7P/c1-7-10-13-20-16(4)23-26(19,24-17(5)21-14-11-8-2)25-18(6)22-15-12-9-3/h16-18H,7-15H2,1-6H3
InChIKey
BGNTUSKZDOUZCZ-UHFFFAOYSA-N
Compound name
tris(1-butoxyethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1646
Patents

398.24335 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.250626 203.7
[M+Na]+ 421.232568 209.4
[M-H]- 397.236074 198.7
[M+NH4]+ 416.277173 211.3
[M+K]+ 437.206508 204.6
[M+H-H2O]+ 381.240610 198.8
[M+HCOO]- 443.241551 214.5
[M+CH3COO]- 457.257201 225.6
[M+Na-2H]- 419.218016 192.4
[M]+ 398.24280142 205.0
[M]- 398.24389858 205.0
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

patents stripe