CID 25256

Furfuryl alcohol, phosphate (3:1)

Structural Information

Molecular Formula
C15H27O7P
SMILES
C1CC(OC1)COP(=O)(OCC2CCCO2)OCC3CCCO3
InChI
InChI=1S/C15H27O7P/c16-23(20-10-13-4-1-7-17-13,21-11-14-5-2-8-18-14)22-12-15-6-3-9-19-15/h13-15H,1-12H2
InChIKey
YUUDAJZHJYVGCS-UHFFFAOYSA-N
Compound name
tris(oxolan-2-ylmethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

14
Patents

350.14944 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15672 178.7
[M+Na]+ 373.13866 178.4
[M-H]- 349.14216 186.7
[M+NH4]+ 368.18326 191.8
[M+K]+ 389.11260 182.5
[M+H-H2O]+ 333.14670 172.4
[M+HCOO]- 395.14764 199.5
[M+CH3COO]- 409.16329 205.5
[M+Na-2H]- 371.12411 176.6
[M]+ 350.14889 180.6
[M]- 350.14999 180.6
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