CID 66927890

Schembl28649269

Structural Information

Molecular Formula

C₂₀H₂₇O₄P

SMILES

CCCCC1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)CCCC

InChI

InChI=1S/C20H27O4P/c1-3-5-7-17-9-13-19(14-10-17)23-25(21,22)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H,21,22)

InChIKey

SNHWCBGLBBLOQL-UHFFFAOYSA-N

Compound name

bis(4-butylphenyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 362.1647 Da
Monoisotopic Mass: 6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.171976	191.3
[M+Na]+	385.153918	196.2
[M-H]-	361.157424	194.7
[M+NH4]+	380.198523	203.5
[M+K]+	401.127858	192.4
[M+H-H2O]+	345.161960	180.5
[M+HCOO]-	407.162901	216.4
[M+CH3COO]-	421.178551	214.5
[M+Na-2H]-	383.139366	191.0
[M]+	362.16415142	196.8
[M]-	362.16524858	196.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe