CID 6540

Tris(2-butoxyethyl) phosphate

Structural Information

Molecular Formula
C18H39O7P
SMILES
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChI
InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
InChIKey
WTLBZVNBAKMVDP-UHFFFAOYSA-N
Compound name
tris(2-butoxyethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

117
References

16423
Patents

398.24335 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.250626 204.3
[M+Na]+ 421.232568 208.4
[M-H]- 397.236074 194.6
[M+NH4]+ 416.277173 207.1
[M+K]+ 437.206508 202.1
[M+H-H2O]+ 381.240610 192.8
[M+HCOO]- 443.241551 222.1
[M+CH3COO]- 457.257201 223.4
[M+Na-2H]- 419.218016 191.1
[M]+ 398.24280142 205.1
[M]- 398.24389858 205.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe