CID 116457

Phenol, dipentyl-, dihydrogen phosphate

Structural Information

Molecular Formula
C16H27O4P
SMILES
CCCCCC1=C(C(=CC=C1)OP(=O)(O)O)CCCCC
InChI
InChI=1S/C16H27O4P/c1-3-5-7-10-14-11-9-13-16(20-21(17,18)19)15(14)12-8-6-4-2/h9,11,13H,3-8,10,12H2,1-2H3,(H2,17,18,19)
InChIKey
RVQOXEIOIUDSFU-UHFFFAOYSA-N
Compound name
(2,3-dipentylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

102
Patents

314.1647 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17198 180.4
[M+Na]+ 337.15392 185.5
[M-H]- 313.15742 179.4
[M+NH4]+ 332.19852 194.5
[M+K]+ 353.12786 182.1
[M+H-H2O]+ 297.16196 171.6
[M+HCOO]- 359.16290 204.0
[M+CH3COO]- 373.17855 204.4
[M+Na-2H]- 335.13937 179.5
[M]+ 314.16415 185.7
[M]- 314.16525 185.7
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

patents stripe